O0P
概要
| 表記: | N-[(3-fluorophenyl)methyl]-N-methylsulfuric diamide |
| 組成式: | C8 H11 F N2 O2 S |
| 電荷: | 0 |
| 化学式量: | 218.249 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-[(3-fluorophenyl)methyl]-N-methylsulfuric diamide |
| OpenEye OEToolkits | 2.0.6 | 1-fluoranyl-3-[[methyl(sulfamoyl)amino]methyl]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 | NS(N(C)Cc1cc(ccc1)F)(=O)=O |
| InChI | InChI | 1.03 | InChI=1S/C8H11FN2O2S/c1-11(14(10,12)13)6-7-3-2-4-8(9)5-7/h2-5H,6H2,1H3,(H2,10,12,13) |
| InChIKey | InChI | 1.03 | MTNUKOMLMCLFRR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(Cc1cccc(F)c1)[S](N)(=O)=O |
| SMILES | CACTVS | 3.385 | CN(Cc1cccc(F)c1)[S](N)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CN(Cc1cccc(c1)F)S(=O)(=O)N |
| SMILES | OpenEye OEToolkits | 2.0.6 | CN(Cc1cccc(c1)F)S(=O)(=O)N |
