| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=CN1C(C(=O)NOCCN)CCC(NOS(=O)(=O)O)C1 |
| InChI | InChI | 1.03 | InChI=1S/C9H18N4O7S/c10-3-4-19-12-9(15)8-2-1-7(5-13(8)6-14)11-20-21(16,17)18/h6-8,11H,1-5,10H2,(H,12,15)(H,16,17,18)/t7-,8+/m1/s1 |
| InChIKey | InChI | 1.03 | YTAWXXHGLPATIN-SFYZADRCSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCCONC(=O)[C@@H]1CC[C@H](CN1C=O)NO[S](O)(=O)=O |
| SMILES | CACTVS | 3.385 | NCCONC(=O)[CH]1CC[CH](CN1C=O)NO[S](O)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | C1C[C@H](N(C[C@@H]1NOS(=O)(=O)O)C=O)C(=O)NOCCN |
| SMILES | OpenEye OEToolkits | 1.9.2 | C1CC(N(CC1NOS(=O)(=O)O)C=O)C(=O)NOCCN |
