Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=S(=O)(N2C(C(=O)NC(C(=O)OCC)Cc1ccccc1)CSCC2)c3ccc(cc3)C |
SMILES_CANONICAL | CACTVS | 3.341 | CCOC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]2CSCCN2[S](=O)(=O)c3ccc(C)cc3 |
SMILES | CACTVS | 3.341 | CCOC(=O)[CH](Cc1ccccc1)NC(=O)[CH]2CSCCN2[S](=O)(=O)c3ccc(C)cc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCOC(=O)C(Cc1ccccc1)NC(=O)[C@@H]2CSCC[N@]2S(=O)(=O)c3ccc(cc3)C |
SMILES | OpenEye OEToolkits | 1.5.0 | CCOC(=O)C(Cc1ccccc1)NC(=O)C2CSCCN2S(=O)(=O)c3ccc(cc3)C |
InChI | InChI | 1.03 | InChI=1S/C23H28N2O5S2/c1-3-30-23(27)20(15-18-7-5-4-6-8-18)24-22(26)21-16-31-14-13-25(21)32(28,29)19-11-9-17(2)10-12-19/h4-12,20-21H,3,13-16H2,1-2H3,(H,24,26)/t20-,21-/m0/s1 |
InChIKey | InChI | 1.03 | NDDSSAGSYFVBTG-SFTDATJTSA-N |