Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C1(CS(CC1N3CCN(c2c(cccc2)Cl)CC3)(=O)=O)O |
InChI | InChI | 1.03 | InChI=1S/C14H19ClN2O3S/c15-11-3-1-2-4-12(11)16-5-7-17(8-6-16)13-9-21(19,20)10-14(13)18/h1-4,13-14,18H,5-10H2/t13-,14-/m0/s1 |
InChIKey | InChI | 1.03 | CRYVRLLTCKZRFB-KBPBESRZSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | O[C@H]1C[S](=O)(=O)C[C@@H]1N2CCN(CC2)c3ccccc3Cl |
SMILES | CACTVS | 3.385 | O[CH]1C[S](=O)(=O)C[CH]1N2CCN(CC2)c3ccccc3Cl |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)N2CCN(CC2)[C@H]3CS(=O)(=O)C[C@@H]3O)Cl |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)N2CCN(CC2)C3CS(=O)(=O)CC3O)Cl |