Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1(c(Cl)ccc(c1)CCN(CC(COc2ccc(cc2)NS(=O)(C)=O)O)CCCC)Cl |
InChI | InChI | 1.03 | InChI=1S/C22H30Cl2N2O4S/c1-3-4-12-26(13-11-17-5-10-21(23)22(24)14-17)15-19(27)16-30-20-8-6-18(7-9-20)25-31(2,28)29/h5-10,14,19,25,27H,3-4,11-13,15-16H2,1-2H3/t19-/m1/s1 |
InChIKey | InChI | 1.03 | NHYMWKHINJIWJL-LJQANCHMSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCCCN(CCc1ccc(Cl)c(Cl)c1)C[C@@H](O)COc2ccc(N[S](C)(=O)=O)cc2 |
SMILES | CACTVS | 3.385 | CCCCN(CCc1ccc(Cl)c(Cl)c1)C[CH](O)COc2ccc(N[S](C)(=O)=O)cc2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCCCN(CCc1ccc(c(c1)Cl)Cl)C[C@H](COc2ccc(cc2)NS(=O)(=O)C)O |
SMILES | OpenEye OEToolkits | 2.0.6 | CCCCN(CCc1ccc(c(c1)Cl)Cl)CC(COc2ccc(cc2)NS(=O)(=O)C)O |