種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 10.04 | Fc1c(cccc1F)CNC(=O)c2ccc(cc2)S(=O)(=O)N |
SMILES_CANONICAL | CACTVS | 3.341 | N[S](=O)(=O)c1ccc(cc1)C(=O)NCc2cccc(F)c2F |
SMILES | CACTVS | 3.341 | N[S](=O)(=O)c1ccc(cc1)C(=O)NCc2cccc(F)c2F |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(c(c(c1)F)F)CNC(=O)c2ccc(cc2)S(=O)(=O)N |
SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(c(c(c1)F)F)CNC(=O)c2ccc(cc2)S(=O)(=O)N |
InChI | InChI | 1.03 | InChI=1S/C14H12F2N2O3S/c15-12-3-1-2-10(13(12)16)8-18-14(19)9-4-6-11(7-5-9)22(17,20)21/h1-7H,8H2,(H,18,19)(H2,17,20,21) |
InChIKey | InChI | 1.03 | QASSMVGOSBNFQY-UHFFFAOYSA-N |