| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=S(=O)(c1c(scc1)C(=O)O)NCCc2ccc(C(=O)O)cc2 |
| InChI | InChI | 1.03 | InChI=1S/C14H13NO6S2/c16-13(17)10-3-1-9(2-4-10)5-7-15-23(20,21)11-6-8-22-12(11)14(18)19/h1-4,6,8,15H,5,7H2,(H,16,17)(H,18,19) |
| InChIKey | InChI | 1.03 | BTTJFJNWZFKJAU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | OC(=O)c1ccc(CCN[S](=O)(=O)c2ccsc2C(O)=O)cc1 |
| SMILES | CACTVS | 3.370 | OC(=O)c1ccc(CCN[S](=O)(=O)c2ccsc2C(O)=O)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1CCNS(=O)(=O)c2ccsc2C(=O)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1CCNS(=O)(=O)c2ccsc2C(=O)O)C(=O)O |
