Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C24H22N2O4S/c1-18-17-26(23-10-6-5-9-22(18)23)16-15-24(27)25-31(28,29)21-13-11-20(12-14-21)30-19-7-3-2-4-8-19/h2-14,17H,15-16H2,1H3,(H,25,27) |
InChIKey | InChI | 1.06 | ZPEFTTKCRHGFDO-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1cn(CCC(=O)N[S](=O)(=O)c2ccc(Oc3ccccc3)cc2)c4ccccc14 |
SMILES | CACTVS | 3.385 | Cc1cn(CCC(=O)N[S](=O)(=O)c2ccc(Oc3ccccc3)cc2)c4ccccc14 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cn(c2c1cccc2)CCC(=O)NS(=O)(=O)c3ccc(cc3)Oc4ccccc4 |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cn(c2c1cccc2)CCC(=O)NS(=O)(=O)c3ccc(cc3)Oc4ccccc4 |