Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C(N)(C1CCC2CN1C(N2OS(=O)(O)=O)=O)=O |
InChI | InChI | 1.03 | InChI=1S/C7H11N3O6S/c8-6(11)5-2-1-4-3-9(5)7(12)10(4)16-17(13,14)15/h4-5H,1-3H2,(H2,8,11)(H,13,14,15)/t4-,5+/m1/s1 |
InChIKey | InChI | 1.03 | NDCUAPJVLWFHHB-UHNVWZDZSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)[C@@H]1CC[C@@H]2C[N@]1C(=O)N2O[S](O)(=O)=O |
SMILES | CACTVS | 3.385 | NC(=O)[CH]1CC[CH]2C[N]1C(=O)N2O[S](O)(=O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C1C[C@H](N2C[C@@H]1N(C2=O)OS(=O)(=O)O)C(=O)N |
SMILES | OpenEye OEToolkits | 2.0.6 | C1CC(N2CC1N(C2=O)OS(=O)(=O)O)C(=O)N |