種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | FC(F)(F)CCCn1c2ccc(Cl)cc2nc1CN1c2ccccc2C2(CN(C2)S(C)(=O)=O)C1=O |
InChI | InChI | 1.06 | InChI=1S/C23H22ClF3N4O3S/c1-35(33,34)29-13-22(14-29)16-5-2-3-6-18(16)31(21(22)32)12-20-28-17-11-15(24)7-8-19(17)30(20)10-4-9-23(25,26)27/h2-3,5-8,11H,4,9-10,12-14H2,1H3 |
InChIKey | InChI | 1.06 | FGAFKLPJKPDQGL-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[S](=O)(=O)N1CC2(C1)C(=O)N(Cc3nc4cc(Cl)ccc4n3CCCC(F)(F)F)c5ccccc25 |
SMILES | CACTVS | 3.385 | C[S](=O)(=O)N1CC2(C1)C(=O)N(Cc3nc4cc(Cl)ccc4n3CCCC(F)(F)F)c5ccccc25 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CS(=O)(=O)N1CC2(C1)c3ccccc3N(C2=O)Cc4nc5cc(ccc5n4CCCC(F)(F)F)Cl |
SMILES | OpenEye OEToolkits | 2.0.7 | CS(=O)(=O)N1CC2(C1)c3ccccc3N(C2=O)Cc4nc5cc(ccc5n4CCCC(F)(F)F)Cl |