R8N
概要
表記: | 2,3,5,6-tetrakis(fluoranyl)-4-(2-hydroxyethylsulfanyl)-~{N}-methyl-benzenesulfonamide |
組成式: | C9 H9 F4 N O3 S2 |
電荷: | 0 |
化学式量: | 319.296 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 | 2,3,5,6-tetrakis(fluoranyl)-4-(2-hydroxyethylsulfanyl)-~{N}-methyl-benzenesulfonamide |
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 | 1.03 | InChI=1S/C9H9F4NO3S2/c1-14-19(16,17)9-6(12)4(10)8(18-3-2-15)5(11)7(9)13/h14-15H,2-3H2,1H3 |
InChIKey | InChI | 1.03 | IMCLJEGGCMDONQ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN[S](=O)(=O)c1c(F)c(F)c(SCCO)c(F)c1F |
SMILES | CACTVS | 3.385 | CN[S](=O)(=O)c1c(F)c(F)c(SCCO)c(F)c1F |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CNS(=O)(=O)c1c(c(c(c(c1F)F)SCCO)F)F |
SMILES | OpenEye OEToolkits | 2.0.7 | CNS(=O)(=O)c1c(c(c(c(c1F)F)SCCO)F)F |