A36
概要
表記: | N-[2-(diethylamino)ethyl]-1-(4-fluorophenyl)methanesulfonamide |
組成式: | C13 H21 F N2 O2 S |
電荷: | 0 |
化学式量: | 288.381 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]-1-(4-fluorophenyl)methanesulfonamide |
OpenEye OEToolkits | 1.7.6 | N-[2-(diethylamino)ethyl]-1-(4-fluorophenyl)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 |
SMILES | ACDLabs | 12.01 | Fc1ccc(cc1)CS(=O)(=O)NCCN(CC)CC |
InChI | InChI | 1.03 | InChI=1S/C13H21FN2O2S/c1-3-16(4-2)10-9-15-19(17,18)11-12-5-7-13(14)8-6-12/h5-8,15H,3-4,9-11H2,1-2H3 |
InChIKey | InChI | 1.03 | UKOZIEJMLUYTMK-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | CCN(CC)CCN[S](=O)(=O)Cc1ccc(F)cc1 |
SMILES | CACTVS | 3.370 | CCN(CC)CCN[S](=O)(=O)Cc1ccc(F)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCN(CC)CCNS(=O)(=O)Cc1ccc(cc1)F |
SMILES | OpenEye OEToolkits | 1.7.6 | CCN(CC)CCNS(=O)(=O)Cc1ccc(cc1)F |