| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CCC(CN(C1C=CN(C1=O)C(C)C(=O)N2CCOCC2)S(c3cc4c(cc3)cc(Cl)cc4)(=O)=O)=O |
| InChI | InChI | 1.03 | InChI=1S/C25H28ClN3O6S/c1-3-21(30)16-29(36(33,34)22-7-5-18-14-20(26)6-4-19(18)15-22)23-8-9-28(25(23)32)17(2)24(31)27-10-12-35-13-11-27/h4-9,14-15,17,23H,3,10-13,16H2,1-2H3/t17-,23-/m0/s1 |
| InChIKey | InChI | 1.03 | MPHFQCQENHLINH-SBUREZEXSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC(=O)CN([C@H]1C=CN([C@@H](C)C(=O)N2CCOCC2)C1=O)[S](=O)(=O)c3ccc4cc(Cl)ccc4c3 |
| SMILES | CACTVS | 3.385 | CCC(=O)CN([CH]1C=CN([CH](C)C(=O)N2CCOCC2)C1=O)[S](=O)(=O)c3ccc4cc(Cl)ccc4c3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CCC(=O)CN([C@H]1C=CN(C1=O)[C@@H](C)C(=O)N2CCOCC2)S(=O)(=O)c3ccc4cc(ccc4c3)Cl |
| SMILES | OpenEye OEToolkits | 1.9.2 | CCC(=O)CN(C1C=CN(C1=O)C(C)C(=O)N2CCOCC2)S(=O)(=O)c3ccc4cc(ccc4c3)Cl |
