種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | c2(Cc1ccc(S(N)(=O)=O)cc1)c(O)n(nc2c3cc(c(cc3)F)F)c4scc(n4)C(=O)O |
InChI | InChI | 1.03 | InChI=1S/C20H14F2N4O5S2/c21-14-6-3-11(8-15(14)22)17-13(7-10-1-4-12(5-2-10)33(23,30)31)18(27)26(25-17)20-24-16(9-32-20)19(28)29/h1-6,8-9,27H,7H2,(H,28,29)(H2,23,30,31) |
InChIKey | InChI | 1.03 | HADCVZAHKWNLJA-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | N[S](=O)(=O)c1ccc(Cc2c(O)n(nc2c3ccc(F)c(F)c3)c4scc(n4)C(O)=O)cc1 |
SMILES | CACTVS | 3.385 | N[S](=O)(=O)c1ccc(Cc2c(O)n(nc2c3ccc(F)c(F)c3)c4scc(n4)C(O)=O)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1Cc2c(nn(c2O)c3nc(cs3)C(=O)O)c4ccc(c(c4)F)F)S(=O)(=O)N |
SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1Cc2c(nn(c2O)c3nc(cs3)C(=O)O)c4ccc(c(c4)F)F)S(=O)(=O)N |