CAS号:210421-71-9-3-(N-(4-Chloro-3-methylisoxazol-5-yl)sulfamoyl)-N-methoxy-N-methylthiophene-2-carboxamide - 3-(N-(4-Chloro-3-methylisoxazol-5-yl)sulfamoyl)-N-methoxy-N-methylthiophene-2-carboxamide-科华智慧

1. 主信息

英文名:	3-(N-(4-Chloro-3-methylisoxazol-5-yl)sulfamoyl)-N-methoxy-N-methylthiophene-2-carboxamide
中文名:	3-(N-(4-Chloro-3-methylisoxazol-5-yl)sulfamoyl)-N-methoxy-N-methylthiophene-2-carboxamide
CAS编号:	210421-71-9
化学分子式：	C₁₁H₁₂ClN₃O₅S₂
化学分子量：	365.8 g/mol
SMILES：	CC1=NOC(=C1Cl)NS(=O)(=O)C2=C(SC=C2)C(=O)N(C)OC
来源：	合成化合物
结构类型：	-
其它名称或标识：	-

2. 供应商与价格

供应商	包装规格	含量	价格(元)	环境要求	货期	说明
科华智慧	1g	98%	4000	2-8℃	现货	-

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3. 结构

3.1 二维结构

3.2 三维结构

-1 -2 -3 34 35 0 0 0 0 0 0 0999 V2000 2.6179 -2.5217 0.7661 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.3134 1.4755 1.3638 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.7170 0.7204 -2.0454 S 0 0 0 0 0 0 0 0 0 0 0 0 2.4158 1.2942 0.0640 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3661 1.3050 2.3595 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4764 2.7025 1.3509 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9051 -2.0661 -0.6109 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5978 -0.4048 1.0695 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7449 0.1037 1.4646 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0061 -1.8135 0.2275 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5670 0.9944 -0.6542 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1405 1.4132 -0.1389 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0958 0.5139 -0.4808 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8956 2.3255 -1.2055 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9289 0.1603 0.6450 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6347 -0.5848 0.3216 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6852 2.0624 -2.3031 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7493 -0.8956 0.3185 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7463 -0.3190 -0.4873 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4093 -2.9860 0.9830 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8991 -0.9775 -1.1261 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3791 -2.5019 -1.8818 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3270 -0.8270 1.5874 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1785 3.1362 -1.1863 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7049 2.5935 -3.2443 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2348 -2.7563 1.6609 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5510 -3.3388 1.5618 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7220 -3.7694 0.2872 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5624 -1.7592 -1.8148 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5085 -0.2698 -1.6983 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5449 -1.4391 -0.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8240 -1.9700 -2.6593 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4520 -2.3414 -2.0318 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1698 -3.5712 -1.9801 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 2 5 2 0 0 0 0 2 6 2 0 0 0 0 2 9 1 0 0 0 0 2 12 1 0 0 0 0 3 13 1 0 0 0 0 3 17 1 0 0 0 0 4 11 1 0 0 0 0 4 15 1 0 0 0 0 7 10 1 0 0 0 0 7 22 1 0 0 0 0 8 16 2 0 0 0 0 9 15 1 0 0 0 0 9 23 1 0 0 0 0 10 16 1 0 0 0 0 10 20 1 0 0 0 0 11 19 2 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 13 16 1 0 0 0 0 14 17 2 0 0 0 0 14 24 1 0 0 0 0 15 18 2 0 0 0 0 17 25 1 0 0 0 0 18 19 1 0 0 0 0 19 21 1 0 0 0 0 20 26 1 0 0 0 0 20 27 1 0 0 0 0 20 28 1 0 0 0 0 21 29 1 0 0 0 0 21 30 1 0 0 0 0 21 31 1 0 0 0 0 22 32 1 0 0 0 0 22 33 1 0 0 0 0 22 34 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-methoxy-N-methylthiophene-2-carboxamide

4.2 InChl

InChI=1S/C11H12ClN3O5S2/c1-6-8(12)10(20-13-6)14-22(17,18)7-4-5-21-9(7)11(16)15(2)19-3/h4-5,14H,1-3H3

4.3 InChlKey

VRGYYWMUTXDXKN-UHFFFAOYSA-N

4.4 Canonical SMILES

CC1=NOC(=C1Cl)NS(=O)(=O)C2=C(SC=C2)C(=O)N(C)OC

4.5 lsomeric SMILES

4.6 SDF文件

补充中

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5. 波谱数据

5.1 ¹³C核磁共振谱(¹³C NMR)

5.2 ¹H核磁共振谱(¹H NMR)

5.3 质谱(MS)

补充中

5.4 红外光谱(IR)

补充中

5.5 紫外/可见光谱(UV/Vis)

补充中

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6. 相关药材

中文名称

英文名称

拉丁文名称

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7. 相关靶点

基因靶点

靶点位置

参考文献

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8. 相关疾病

疾病名称

疾病类型