HS5
概要
| 表記: | 2-[(4-fluorophenyl)sulfonyl-(2-hydroxyethyl)amino]-N-oxo-ethanamide |
| 別名: | 4-fluoro-N-(2-hydroxyethyl)-N-(2-nitroso-2-oxoethyl)benzenesulfonamide |
| 組成式: | C10 H11 F N2 O5 S |
| 電荷: | 0 |
| 化学式量: | 290.268 Da |
| 分子種別: | NON-POLYMER |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 10.04 | N~2~-[(4-fluorophenyl)sulfonyl]-N~2~-(2-hydroxyethyl)-N-oxoglycinamide |
| OpenEye OEToolkits | 1.5.0 | 2-[(4-fluorophenyl)sulfonyl-(2-hydroxyethyl)amino]-N-oxo-ethanamide |
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 | 10.04 | O=S(=O)(c1ccc(F)cc1)N(CC(=O)N=O)CCO |
| SMILES_CANONICAL | CACTVS | 3.341 | OCCN(CC(=O)N=O)[S](=O)(=O)c1ccc(F)cc1 |
| SMILES | CACTVS | 3.341 | OCCN(CC(=O)N=O)[S](=O)(=O)c1ccc(F)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1F)S(=O)(=O)N(CCO)CC(=O)N=O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1F)S(=O)(=O)N(CCO)CC(=O)N=O |
| InChI | InChI | 1.03 | InChI=1S/C10H11FN2O5S/c11-8-1-3-9(4-2-8)19(17,18)13(5-6-14)7-10(15)12-16/h1-4,14H,5-7H2 |
| InChIKey | InChI | 1.03 | XNNFYDODDRKLAF-UHFFFAOYSA-N |
