Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | ClC(Cl)C(=O)NC(C(O)c1ccc(cc1)S(=O)(=O)C)CO |
SMILES_CANONICAL | CACTVS | 3.341 | C[S](=O)(=O)c1ccc(cc1)[C@@H](O)[C@@H](CO)NC(=O)C(Cl)Cl |
SMILES | CACTVS | 3.341 | C[S](=O)(=O)c1ccc(cc1)[CH](O)[CH](CO)NC(=O)C(Cl)Cl |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CS(=O)(=O)c1ccc(cc1)[C@H]([C@@H](CO)NC(=O)C(Cl)Cl)O |
SMILES | OpenEye OEToolkits | 1.5.0 | CS(=O)(=O)c1ccc(cc1)C(C(CO)NC(=O)C(Cl)Cl)O |
InChI | InChI | 1.03 | InChI=1S/C12H15Cl2NO5S/c1-21(19,20)8-4-2-7(3-5-8)10(17)9(6-16)15-12(18)11(13)14/h2-5,9-11,16-17H,6H2,1H3,(H,15,18)/t9-,10-/m1/s1 |
InChIKey | InChI | 1.03 | OTVAEFIXJLOWRX-NXEZZACHSA-N |