N2K
概要
| 表記: | ~{N}-[2-(diethylamino)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide |
| 組成式: | C14 H21 F3 N2 O2 S |
| 電荷: | 0 |
| 化学式量: | 338.389 Da |
| 分子種別: | non-polymer |
化合物名
| プログラム | バージョン | 表記 |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[2-(diethylamino)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide |
化合物記述子（線形表記）
| 種別 | プログラム | バージョン | 表記 |
| InChI | InChI | 1.03 | InChI=1S/C14H21F3N2O2S/c1-3-19(4-2)10-9-18-22(20,21)11-12-5-7-13(8-6-12)14(15,16)17/h5-8,18H,3-4,9-11H2,1-2H3 |
| InChIKey | InChI | 1.03 | UJMFKSSVUDLNIV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCN(CC)CCN[S](=O)(=O)Cc1ccc(cc1)C(F)(F)F |
| SMILES | CACTVS | 3.385 | CCN(CC)CCN[S](=O)(=O)Cc1ccc(cc1)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCN(CC)CCNS(=O)(=O)Cc1ccc(cc1)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCN(CC)CCNS(=O)(=O)Cc1ccc(cc1)C(F)(F)F |
