| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=S(=O)(N2CCCC(C(=O)\C=C(/O)C(=O)O)(Cc1ccc(Cl)cc1)C2)Cc3ccccc3 |
| InChI | InChI | 1.03 | InChI=1S/C23H24ClNO6S/c24-19-9-7-17(8-10-19)14-23(21(27)13-20(26)22(28)29)11-4-12-25(16-23)32(30,31)15-18-5-2-1-3-6-18/h1-3,5-10,13,26H,4,11-12,14-16H2,(H,28,29)/b20-13-/t23-/m0/s1 |
| InChIKey | InChI | 1.03 | FCMIBEDVUPBTKX-BXDIUNCMSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)C(/O)=C/C(=O)[C@@]1(CCCN(C1)[S](=O)(=O)Cc2ccccc2)Cc3ccc(Cl)cc3 |
| SMILES | CACTVS | 3.385 | OC(=O)C(O)=CC(=O)[C]1(CCCN(C1)[S](=O)(=O)Cc2ccccc2)Cc3ccc(Cl)cc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1ccc(cc1)CS(=O)(=O)N2CCC[C@@](C2)(Cc3ccc(cc3)Cl)C(=O)/C=C(/C(=O)O)\O |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1ccc(cc1)CS(=O)(=O)N2CCCC(C2)(Cc3ccc(cc3)Cl)C(=O)C=C(C(=O)O)O |
