Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C1C2C(CN(S(C)(=O)=O)C1CCC2O)O |
InChI | InChI | 1.03 | InChI=1S/C9H17NO4S/c1-15(13,14)10-5-9(12)7-4-6(10)2-3-8(7)11/h6-9,11-12H,2-5H2,1H3/t6-,7-,8+,9-/m0/s1 |
InChIKey | InChI | 1.03 | CYNUYWOAYKVYAG-MAUMQABQSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[S](=O)(=O)N1C[C@H](O)[C@H]2C[C@@H]1CC[C@H]2O |
SMILES | CACTVS | 3.385 | C[S](=O)(=O)N1C[CH](O)[CH]2C[CH]1CC[CH]2O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CS(=O)(=O)N1C[C@@H]([C@H]2C[C@@H]1CC[C@H]2O)O |
SMILES | OpenEye OEToolkits | 2.0.6 | CS(=O)(=O)N1CC(C2CC1CCC2O)O |