SUA
概要
| 表記: | (4-SULFAMOYL-PHENYL)-THIOCARBAMIC ACID O-(2-THIOPHEN-3-YL-ETHYL) ESTER |
| 別名: | Carbonic Anhydrase II inhibitor 16923 |
| 組成式: | C13 H14 N2 O3 S3 |
| 電荷: | 0 |
| 化学式量: | 342.457 Da |
| 分子種別: | NON-POLYMER |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 11.02 | O-[2-(thiophen-3-yl)ethyl] (4-sulfamoylphenyl)carbamothioate |
| OpenEye OEToolkits | 1.6.1 | O-(2-thiophen-3-ylethyl) N-(4-sulfamoylphenyl)carbamothioate |
化合物記述子（線形表記）
| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 11.02 | O=S(=O)(N)c1ccc(cc1)NC(=S)OCCc2ccsc2 |
| SMILES_CANONICAL | CACTVS | 3.352 | N[S](=O)(=O)c1ccc(NC(=S)OCCc2cscc2)cc1 |
| SMILES | CACTVS | 3.352 | N[S](=O)(=O)c1ccc(NC(=S)OCCc2cscc2)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1cc(ccc1NC(=S)OCCc2ccsc2)S(=O)(=O)N |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1cc(ccc1NC(=S)OCCc2ccsc2)S(=O)(=O)N |
| InChI | InChI | 1.03 | InChI=1S/C13H14N2O3S3/c14-21(16,17)12-3-1-11(2-4-12)15-13(19)18-7-5-10-6-8-20-9-10/h1-4,6,8-9H,5,7H2,(H,15,19)(H2,14,16,17) |
| InChIKey | InChI | 1.03 | NXMUSVRWCFYOTJ-UHFFFAOYSA-N |
