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 |