KUL
概要
| 表記: | 1-(2-fluoranyl-5-methylsulfonyl-phenyl)pyrrolidine-2,5-dione |
| 別名: | 1-(2-Fluoro-5-methylsulfonylphenyl)pyrrole-2,5-dione (reacted form of) |
| 組成式: | C11 H10 F N O4 S |
| 電荷: | 0 |
| 化学式量: | 271.265 Da |
| 分子種別: | non-polymer |
化合物名
| プログラム | バージョン | 表記 |
| OpenEye OEToolkits | 2.0.7 | 1-(2-fluoranyl-5-methylsulfonyl-phenyl)pyrrolidine-2,5-dione |
化合物記述子（線形表記）
| 種別 | プログラム | バージョン | 表記 |
| InChI | InChI | 1.06 | InChI=1S/C11H10FNO4S/c1-18(16,17)7-2-3-8(12)9(6-7)13-10(14)4-5-11(13)15/h2-3,6H,4-5H2,1H3 |
| InChIKey | InChI | 1.06 | RISNMQBAJMCDFN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[S](=O)(=O)c1ccc(F)c(c1)N2C(=O)CCC2=O |
| SMILES | CACTVS | 3.385 | C[S](=O)(=O)c1ccc(F)c(c1)N2C(=O)CCC2=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CS(=O)(=O)c1ccc(c(c1)N2C(=O)CCC2=O)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | CS(=O)(=O)c1ccc(c(c1)N2C(=O)CCC2=O)F |
