1DD
概要
| 表記: | 1-[(4-fluorophenyl)sulfonyl]-2-methyl-1H-benzimidazole |
| 組成式: | C14 H11 F N2 O2 S |
| 電荷: | 0 |
| 化学式量: | 290.313 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 | 1-[(4-fluorophenyl)sulfonyl]-2-methyl-1H-benzimidazole |
| OpenEye OEToolkits | 1.7.6 | 1-(4-fluorophenyl)sulfonyl-2-methyl-benzimidazole |
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)S(=O)(=O)n2c3ccccc3nc2C |
| InChI | InChI | 1.03 | InChI=1S/C14H11FN2O2S/c1-10-16-13-4-2-3-5-14(13)17(10)20(18,19)12-8-6-11(15)7-9-12/h2-9H,1H3 |
| InChIKey | InChI | 1.03 | SMGZHCSEIBBFEJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | Cc1nc2ccccc2n1[S](=O)(=O)c3ccc(F)cc3 |
| SMILES | CACTVS | 3.370 | Cc1nc2ccccc2n1[S](=O)(=O)c3ccc(F)cc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1nc2ccccc2n1S(=O)(=O)c3ccc(cc3)F |
| SMILES | OpenEye OEToolkits | 1.7.6 | Cc1nc2ccccc2n1S(=O)(=O)c3ccc(cc3)F |
