Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | N(C1C(C(O)=O)CCCCCC1)S(N2CCCC2)(=O)=O |
InChI | InChI | 1.03 | InChI=1S/C13H24N2O4S/c16-13(17)11-7-3-1-2-4-8-12(11)14-20(18,19)15-9-5-6-10-15/h11-12,14H,1-10H2,(H,16,17)/t11-,12+/m1/s1 |
InChIKey | InChI | 1.03 | SEHSQFUMMWGJHC-NEPJUHHUSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)[C@@H]1CCCCCC[C@@H]1N[S](=O)(=O)N2CCCC2 |
SMILES | CACTVS | 3.385 | OC(=O)[CH]1CCCCCC[CH]1N[S](=O)(=O)N2CCCC2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C1CCC[C@@H]([C@@H](CC1)C(=O)O)NS(=O)(=O)N2CCCC2 |
SMILES | OpenEye OEToolkits | 2.0.6 | C1CCCC(C(CC1)C(=O)O)NS(=O)(=O)N2CCCC2 |