Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C17H17N3O2S/c21-23(22,14-7-2-1-3-8-14)20-13-9-10-15-16(11-13)19-17(18-15)12-5-4-6-12/h1-3,7-12,20H,4-6H2,(H,18,19) |
InChIKey | InChI | 1.06 | JZOKLZGVRONABT-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | O=[S](=O)(Nc1ccc2[nH]c(nc2c1)C3CCC3)c4ccccc4 |
SMILES | CACTVS | 3.385 | O=[S](=O)(Nc1ccc2[nH]c(nc2c1)C3CCC3)c4ccccc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)S(=O)(=O)Nc2ccc3c(c2)nc([nH]3)C4CCC4 |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)S(=O)(=O)Nc2ccc3c(c2)nc([nH]3)C4CCC4 |