Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=S(=O)(Nc1ccc(cc1)CCNC(=O)c2ccc(O)c3nc(nc23)c4ccc(Cl)cc4Cl)C |
SMILES_CANONICAL | CACTVS | 3.341 | C[S](=O)(=O)Nc1ccc(CCNC(=O)c2ccc(O)c3nc([nH]c23)c4ccc(Cl)cc4Cl)cc1 |
SMILES | CACTVS | 3.341 | C[S](=O)(=O)Nc1ccc(CCNC(=O)c2ccc(O)c3nc([nH]c23)c4ccc(Cl)cc4Cl)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CS(=O)(=O)Nc1ccc(cc1)CCNC(=O)c2ccc(c3c2[nH]c(n3)c4ccc(cc4Cl)Cl)O |
SMILES | OpenEye OEToolkits | 1.5.0 | CS(=O)(=O)Nc1ccc(cc1)CCNC(=O)c2ccc(c3c2[nH]c(n3)c4ccc(cc4Cl)Cl)O |
InChI | InChI | 1.03 | InChI=1S/C23H20Cl2N4O4S/c1-34(32,33)29-15-5-2-13(3-6-15)10-11-26-23(31)17-8-9-19(30)21-20(17)27-22(28-21)16-7-4-14(24)12-18(16)25/h2-9,12,29-30H,10-11H2,1H3,(H,26,31)(H,27,28) |
InChIKey | InChI | 1.03 | BFHQTAMNYUCFBP-UHFFFAOYSA-N |