| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=S(=O)(c1cc2C(=O)c3ccccc3C(=O)c2cc1O)N1CCCC(C1)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C20H17NO7S/c22-16-8-14-15(19(24)13-6-2-1-5-12(13)18(14)23)9-17(16)29(27,28)21-7-3-4-11(10-21)20(25)26/h1-2,5-6,8-9,11,22H,3-4,7,10H2,(H,25,26)/t11-/m1/s1 |
| InChIKey | InChI | 1.03 | WJGDJAJWMMMYSV-LLVKDONJSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)[C@@H]1CCCN(C1)[S](=O)(=O)c2cc3C(=O)c4ccccc4C(=O)c3cc2O |
| SMILES | CACTVS | 3.385 | OC(=O)[CH]1CCCN(C1)[S](=O)(=O)c2cc3C(=O)c4ccccc4C(=O)c3cc2O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)C(=O)c3cc(c(cc3C2=O)S(=O)(=O)N4CCC[C@H](C4)C(=O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)C(=O)c3cc(c(cc3C2=O)S(=O)(=O)N4CCCC(C4)C(=O)O)O |
