Z5K
概要
| 表記: | N-[2-(diethylamino)ethyl]-3-(trifluoromethyl)benzenesulfonamide |
| 組成式: | C13 H19 F3 N2 O2 S |
| 電荷: | 0 |
| 化学式量: | 324.362 Da |
| 分子種別: | non-polymer |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 12.01 | N-[2-(diethylamino)ethyl]-3-(trifluoromethyl)benzenesulfonamide |
| OpenEye OEToolkits | 1.9.2 | N-[2-(diethylamino)ethyl]-3-(trifluoromethyl)benzenesulfonamide |
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 | 12.01 | O=S(=O)(NCCN(CC)CC)c1cc(ccc1)C(F)(F)F |
| InChI | InChI | 1.03 | InChI=1S/C13H19F3N2O2S/c1-3-18(4-2)9-8-17-21(19,20)12-7-5-6-11(10-12)13(14,15)16/h5-7,10,17H,3-4,8-9H2,1-2H3 |
| InChIKey | InChI | 1.03 | LCVUXYUASXEIMC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCN(CC)CCN[S](=O)(=O)c1cccc(c1)C(F)(F)F |
| SMILES | CACTVS | 3.385 | CCN(CC)CCN[S](=O)(=O)c1cccc(c1)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CCN(CC)CCNS(=O)(=O)c1cccc(c1)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 1.9.2 | CCN(CC)CCNS(=O)(=O)c1cccc(c1)C(F)(F)F |
