種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 10.04 | Fc1cc(cc(F)c1F)CNC(=O)c2ccc(cc2)S(=O)(=O)N |
SMILES_CANONICAL | CACTVS | 3.341 | N[S](=O)(=O)c1ccc(cc1)C(=O)NCc2cc(F)c(F)c(F)c2 |
SMILES | CACTVS | 3.341 | N[S](=O)(=O)c1ccc(cc1)C(=O)NCc2cc(F)c(F)c(F)c2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1C(=O)NCc2cc(c(c(c2)F)F)F)S(=O)(=O)N |
SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1C(=O)NCc2cc(c(c(c2)F)F)F)S(=O)(=O)N |
InChI | InChI | 1.03 | InChI=1S/C14H11F3N2O3S/c15-11-5-8(6-12(16)13(11)17)7-19-14(20)9-1-3-10(4-2-9)23(18,21)22/h1-6H,7H2,(H,19,20)(H2,18,21,22) |
InChIKey | InChI | 1.03 | DEHMSTGBNAXEGX-UHFFFAOYSA-N |