種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | c1cc(c(cc1F)F)Oc2c(cc(cc2)NS(CC)(=O)=O)c4cn(C)c3c4C=CNC3=O |
InChI | InChI | 1.03 | InChI=1S/C22H19F2N3O4S/c1-3-32(29,30)26-14-5-7-19(31-20-6-4-13(23)10-18(20)24)16(11-14)17-12-27(2)21-15(17)8-9-25-22(21)28/h4-12,26H,3H2,1-2H3,(H,25,28) |
InChIKey | InChI | 1.03 | RWDOZZPKEZJESZ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC[S](=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(c1)c3cn(C)c4C(=O)NC=Cc34 |
SMILES | CACTVS | 3.385 | CC[S](=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(c1)c3cn(C)c4C(=O)NC=Cc34 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCS(=O)(=O)Nc1ccc(c(c1)c2cn(c3c2C=CNC3=O)C)Oc4ccc(cc4F)F |
SMILES | OpenEye OEToolkits | 2.0.6 | CCS(=O)(=O)Nc1ccc(c(c1)c2cn(c3c2C=CNC3=O)C)Oc4ccc(cc4F)F |