Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=S(=O)(c1ccccc1OC)Nc2ccc3NC(=O)N(Cc3c2)C |
InChI | InChI | 1.03 | InChI=1S/C16H17N3O4S/c1-19-10-11-9-12(7-8-13(11)17-16(19)20)18-24(21,22)15-6-4-3-5-14(15)23-2/h3-9,18H,10H2,1-2H3,(H,17,20) |
InChIKey | InChI | 1.03 | TXZPMHLMPKIUGK-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | COc1ccccc1[S](=O)(=O)Nc2ccc3NC(=O)N(C)Cc3c2 |
SMILES | CACTVS | 3.370 | COc1ccccc1[S](=O)(=O)Nc2ccc3NC(=O)N(C)Cc3c2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CN1Cc2cc(ccc2NC1=O)NS(=O)(=O)c3ccccc3OC |
SMILES | OpenEye OEToolkits | 1.7.6 | CN1Cc2cc(ccc2NC1=O)NS(=O)(=O)c3ccccc3OC |