WJA
概要
| 表記: | N-methyl-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide |
| 組成式: | C6 H10 N2 O3 S |
| 電荷: | 0 |
| 化学式量: | 190.22 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-methyl-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide |
| OpenEye OEToolkits | 2.0.7 | ~{N}-methyl-1-(5-methyl-1,2-oxazol-3-yl)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 | n1c(CS(NC)(=O)=O)cc(o1)C |
| InChI | InChI | 1.03 | InChI=1S/C6H10N2O3S/c1-5-3-6(8-11-5)4-12(9,10)7-2/h3,7H,4H2,1-2H3 |
| InChIKey | InChI | 1.03 | SDSNLNFNGILSAL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN[S](=O)(=O)Cc1cc(C)on1 |
| SMILES | CACTVS | 3.385 | CN[S](=O)(=O)Cc1cc(C)on1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc(no1)CS(=O)(=O)NC |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(no1)CS(=O)(=O)NC |
