| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=S(=O)(c1c(scc1)C(=O)O)NCCCc2ccc(C(=O)O)cc2 |
| InChI | InChI | 1.03 | InChI=1S/C15H15NO6S2/c17-14(18)11-5-3-10(4-6-11)2-1-8-16-24(21,22)12-7-9-23-13(12)15(19)20/h3-7,9,16H,1-2,8H2,(H,17,18)(H,19,20) |
| InChIKey | InChI | 1.03 | RHIBLGJRPQSXPL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | OC(=O)c1ccc(CCCN[S](=O)(=O)c2ccsc2C(O)=O)cc1 |
| SMILES | CACTVS | 3.370 | OC(=O)c1ccc(CCCN[S](=O)(=O)c2ccsc2C(O)=O)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1CCCNS(=O)(=O)c2ccsc2C(=O)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1CCCNS(=O)(=O)c2ccsc2C(=O)O)C(=O)O |
