| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(NS(O)(O)c1ccc(cc1)CCN)CO |
| InChI | InChI | 1.03 | InChI=1S/C11H18N2O5S/c12-6-5-8-1-3-9(4-2-8)19(17,18)13-10(7-14)11(15)16/h1-4,10,13-14,17-18H,5-7,12H2,(H,15,16)/t10-/m0/s1 |
| InChIKey | InChI | 1.03 | SQBHFIANGBPIBX-JTQLQIEISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCCc1ccc(cc1)[S](O)(O)N[C@@H](CO)C(O)=O |
| SMILES | CACTVS | 3.385 | NCCc1ccc(cc1)[S](O)(O)N[CH](CO)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1CCN)S(N[C@@H](CO)C(=O)O)(O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1CCN)S(NC(CO)C(=O)O)(O)O |
