Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=S(=O)(N)c1c(Cl)ccc(c1)C(=O)CSc4nc3cnc2ccccc2c3n4 |
SMILES_CANONICAL | CACTVS | 3.370 | N[S](=O)(=O)c1cc(ccc1Cl)C(=O)CSc2[nH]c3c(cnc4ccccc34)n2 |
SMILES | CACTVS | 3.370 | N[S](=O)(=O)c1cc(ccc1Cl)C(=O)CSc2[nH]c3c(cnc4ccccc34)n2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1ccc2c(c1)c3c(cn2)nc([nH]3)SCC(=O)c4ccc(c(c4)S(=O)(=O)N)Cl |
SMILES | OpenEye OEToolkits | 1.7.0 | c1ccc2c(c1)c3c(cn2)nc([nH]3)SCC(=O)c4ccc(c(c4)S(=O)(=O)N)Cl |
InChI | InChI | 1.03 | InChI=1S/C18H13ClN4O3S2/c19-12-6-5-10(7-16(12)28(20,25)26)15(24)9-27-18-22-14-8-21-13-4-2-1-3-11(13)17(14)23-18/h1-8H,9H2,(H,22,23)(H2,20,25,26) |
InChIKey | InChI | 1.03 | APUFNRAMLCSAKF-UHFFFAOYSA-N |