種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 10.04 | Fc1ccc(c(F)c1F)CNC(=O)c2ccc(cc2)S(=O)(=O)N |
SMILES_CANONICAL | CACTVS | 3.341 | N[S](=O)(=O)c1ccc(cc1)C(=O)NCc2ccc(F)c(F)c2F |
SMILES | CACTVS | 3.341 | N[S](=O)(=O)c1ccc(cc1)C(=O)NCc2ccc(F)c(F)c2F |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1C(=O)NCc2ccc(c(c2F)F)F)S(=O)(=O)N |
SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1C(=O)NCc2ccc(c(c2F)F)F)S(=O)(=O)N |
InChI | InChI | 1.03 | InChI=1S/C14H11F3N2O3S/c15-11-6-3-9(12(16)13(11)17)7-19-14(20)8-1-4-10(5-2-8)23(18,21)22/h1-6H,7H2,(H,19,20)(H2,18,21,22) |
InChIKey | InChI | 1.03 | AANTYZRUJFNZFI-UHFFFAOYSA-N |