| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C16H17N3O6S2/c20-14(21)8-12-10-26-16(19(12)23)17-15(22)11-6-7-18(9-11)27(24,25)13-4-2-1-3-5-13/h1-5,10-11,23H,6-9H2,(H,20,21)/b17-16-/t11-/m1/s1 |
| InChIKey | InChI | 1.06 | SIHOQGBZZIZREU-RRGFCBMYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | ON1C(=CSC1=NC(=O)[C@@H]2CCN(C2)[S](=O)(=O)c3ccccc3)CC(O)=O |
| SMILES | CACTVS | 3.385 | ON1C(=CSC1=NC(=O)[CH]2CCN(C2)[S](=O)(=O)c3ccccc3)CC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)S(=O)(=O)N2CC[C@H](C2)C(=O)/N=C\3/N(C(=CS3)CC(=O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)S(=O)(=O)N2CCC(C2)C(=O)N=C3N(C(=CS3)CC(=O)O)O |
