Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C(CS(CC1NCC(C(C1O)O)O)(=O)=O)CC(C)C |
InChI | InChI | 1.03 | InChI=1S/C12H25NO5S/c1-8(2)4-3-5-19(17,18)7-9-11(15)12(16)10(14)6-13-9/h8-16H,3-7H2,1-2H3/t9-,10-,11+,12+/m1/s1 |
InChIKey | InChI | 1.03 | MIGRFAIIVQTLPR-WYUUTHIRSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)CCC[S](=O)(=O)C[C@H]1NC[C@@H](O)[C@H](O)[C@H]1O |
SMILES | CACTVS | 3.385 | CC(C)CCC[S](=O)(=O)C[CH]1NC[CH](O)[CH](O)[CH]1O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)CCCS(=O)(=O)C[C@@H]1[C@@H]([C@H]([C@@H](CN1)O)O)O |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)CCCS(=O)(=O)CC1C(C(C(CN1)O)O)O |