Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(Nc1nc(cs1)c1ccc(OC)cc1)C1CCCCN1S(=O)(=O)c1ccc(C)cc1 |
InChI | InChI | 1.03 | InChI=1S/C23H25N3O4S2/c1-16-6-12-19(13-7-16)32(28,29)26-14-4-3-5-21(26)22(27)25-23-24-20(15-31-23)17-8-10-18(30-2)11-9-17/h6-13,15,21H,3-5,14H2,1-2H3,(H,24,25,27) |
InChIKey | InChI | 1.03 | OXQNLLVUVDAEHC-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(cc1)c2csc(NC(=O)[C@H]3CCCCN3[S](=O)(=O)c4ccc(C)cc4)n2 |
SMILES | CACTVS | 3.385 | COc1ccc(cc1)c2csc(NC(=O)[CH]3CCCCN3[S](=O)(=O)c4ccc(C)cc4)n2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1)S(=O)(=O)[N@]2CCCC[C@@H]2C(=O)Nc3nc(cs3)c4ccc(cc4)OC |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1)S(=O)(=O)N2CCCCC2C(=O)Nc3nc(cs3)c4ccc(cc4)OC |