1QV
概要
表記: | 4,5,6,7-tetrafluoro-1,3-benzothiazole-2-sulfonamide |
組成式: | C7 H2 F4 N2 O2 S2 |
電荷: | 0 |
化学式量: | 286.227 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 | 4,5,6,7-tetrafluoro-1,3-benzothiazole-2-sulfonamide |
OpenEye OEToolkits | 1.7.6 | 4,5,6,7-tetrakis(fluoranyl)-1,3-benzothiazole-2-sulfonamide |
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 | O=S(=O)(c1nc2c(F)c(F)c(F)c(F)c2s1)N |
InChI | InChI | 1.03 | InChI=1S/C7H2F4N2O2S2/c8-1-2(9)4(11)6-5(3(1)10)13-7(16-6)17(12,14)15/h(H2,12,14,15) |
InChIKey | InChI | 1.03 | LKDBBZQZZJMNJW-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | N[S](=O)(=O)c1sc2c(F)c(F)c(F)c(F)c2n1 |
SMILES | CACTVS | 3.370 | N[S](=O)(=O)c1sc2c(F)c(F)c(F)c(F)c2n1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c12c(c(c(c(c1sc(n2)S(=O)(=O)N)F)F)F)F |
SMILES | OpenEye OEToolkits | 1.7.6 | c12c(c(c(c(c1sc(n2)S(=O)(=O)N)F)F)F)F |