| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=S(=O)(c1ccc(cc1)C)NC(C(=O)O)C(C(=O)O)CC |
| SMILES_CANONICAL | CACTVS | 3.341 | CC[C@H]([C@H](N[S](=O)(=O)c1ccc(C)cc1)C(O)=O)C(O)=O |
| SMILES | CACTVS | 3.341 | CC[CH]([CH](N[S](=O)(=O)c1ccc(C)cc1)C(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC[C@H]([C@@H](C(=O)O)NS(=O)(=O)c1ccc(cc1)C)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCC(C(C(=O)O)NS(=O)(=O)c1ccc(cc1)C)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C13H17NO6S/c1-3-10(12(15)16)11(13(17)18)14-21(19,20)9-6-4-8(2)5-7-9/h4-7,10-11,14H,3H2,1-2H3,(H,15,16)(H,17,18)/t10-,11+/m1/s1 |
| InChIKey | InChI | 1.03 | KPHLTCNXHCHMOW-MNOVXSKESA-N |
