| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(N)COS(=O)(=O)c1ccc(cc1)CCN |
| InChI | InChI | 1.03 | InChI=1S/C11H16N2O5S/c12-6-5-8-1-3-9(4-2-8)19(16,17)18-7-10(13)11(14)15/h1-4,10H,5-7,12-13H2,(H,14,15)/t10-/m0/s1 |
| InChIKey | InChI | 1.03 | GYATUUIUJIKHFE-JTQLQIEISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCCc1ccc(cc1)[S](=O)(=O)OC[C@H](N)C(O)=O |
| SMILES | CACTVS | 3.385 | NCCc1ccc(cc1)[S](=O)(=O)OC[CH](N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1CCN)S(=O)(=O)OC[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1CCN)S(=O)(=O)OCC(C(=O)O)N |
