| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | NC(C(=O)O)COS(c1ccc(cc1)C#N)(=O)=O |
| InChI | InChI | 1.03 | InChI=1S/C10H10N2O5S/c11-5-7-1-3-8(4-2-7)18(15,16)17-6-9(12)10(13)14/h1-4,9H,6,12H2,(H,13,14)/t9-/m0/s1 |
| InChIKey | InChI | 1.03 | BGAKRHOBIFFXJD-VIFPVBQESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](CO[S](=O)(=O)c1ccc(cc1)C#N)C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH](CO[S](=O)(=O)c1ccc(cc1)C#N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1C#N)S(=O)(=O)OC[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1C#N)S(=O)(=O)OCC(C(=O)O)N |
