| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=S(=O)(O)Cc1ccc(cc1)CC(N)C(=O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H](Cc1ccc(C[S](O)(=O)=O)cc1)C(O)=O |
| SMILES | CACTVS | 3.341 | N[CH](Cc1ccc(C[S](O)(=O)=O)cc1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1C[C@@H](C(=O)O)N)CS(=O)(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1CC(C(=O)O)N)CS(=O)(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C10H13NO5S/c11-9(10(12)13)5-7-1-3-8(4-2-7)6-17(14,15)16/h1-4,9H,5-6,11H2,(H,12,13)(H,14,15,16)/t9-/m0/s1 |
| InChIKey | InChI | 1.03 | ICCZHONAEMZRSG-VIFPVBQESA-N |
