| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C1(=CC(C(N)=O)N2CC1N(C2=O)OS(=O)(O)=O)C |
| InChI | InChI | 1.03 | InChI=1S/C8H11N3O6S/c1-4-2-5(7(9)12)10-3-6(4)11(8(10)13)17-18(14,15)16/h2,5-6H,3H2,1H3,(H2,9,12)(H,14,15,16)/t5-,6-/m0/s1 |
| InChIKey | InChI | 1.03 | WHFPRPRSXFJXMN-WDSKDSINSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC1=C[C@H]([N@]2C[C@@H]1N(O[S](O)(=O)=O)C2=O)C(N)=O |
| SMILES | CACTVS | 3.385 | CC1=C[CH]([N]2C[CH]1N(O[S](O)(=O)=O)C2=O)C(N)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC1=C[C@H](N2C[C@@H]1N(C2=O)OS(=O)(=O)O)C(=O)N |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC1=CC(N2CC1N(C2=O)OS(=O)(=O)O)C(=O)N |
