WOR
概要
| 表記: | N'-(2-hydroxy-5-methylphenyl)-N-methyl-N-(propan-2-yl)sulfuric diamide |
| 組成式: | C11 H18 N2 O3 S |
| 電荷: | 0 |
| 化学式量: | 258.337 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-hydroxy-5-methylphenyl)-N-methyl-N-(propan-2-yl)sulfuric diamide |
| OpenEye OEToolkits | 2.0.7 | 4-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]-1-oxidanyl-benzene |
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 | Oc1ccc(C)cc1NS(=O)(=O)N(C)C(C)C |
| InChI | InChI | 1.06 | InChI=1S/C11H18N2O3S/c1-8(2)13(4)17(15,16)12-10-7-9(3)5-6-11(10)14/h5-8,12,14H,1-4H3 |
| InChIKey | InChI | 1.06 | NABNRHWXENQDQP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)N(C)[S](=O)(=O)Nc1cc(C)ccc1O |
| SMILES | CACTVS | 3.385 | CC(C)N(C)[S](=O)(=O)Nc1cc(C)ccc1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(c(c1)NS(=O)(=O)N(C)C(C)C)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(c(c1)NS(=O)(=O)N(C)C(C)C)O |
