種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | Fc1ccc(cc1)S(=O)(=O)Nc4cc(c2ccc3nc(sc3c2)NC(=O)C)cnc4Cl |
SMILES_CANONICAL | CACTVS | 3.370 | CC(=O)Nc1sc2cc(ccc2n1)c3cnc(Cl)c(N[S](=O)(=O)c4ccc(F)cc4)c3 |
SMILES | CACTVS | 3.370 | CC(=O)Nc1sc2cc(ccc2n1)c3cnc(Cl)c(N[S](=O)(=O)c4ccc(F)cc4)c3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CC(=O)Nc1nc2ccc(cc2s1)c3cc(c(nc3)Cl)NS(=O)(=O)c4ccc(cc4)F |
SMILES | OpenEye OEToolkits | 1.7.0 | CC(=O)Nc1nc2ccc(cc2s1)c3cc(c(nc3)Cl)NS(=O)(=O)c4ccc(cc4)F |
InChI | InChI | 1.03 | InChI=1S/C20H14ClFN4O3S2/c1-11(27)24-20-25-16-7-2-12(9-18(16)30-20)13-8-17(19(21)23-10-13)26-31(28,29)15-5-3-14(22)4-6-15/h2-10,26H,1H3,(H,24,25,27) |
InChIKey | InChI | 1.03 | YGBMCLDVRUGXOV-UHFFFAOYSA-N |