Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C(C)(N(CC(COc1ccc(cc1)NS(C)(=O)=O)O)CCc2cc(c(cc2)Cl)Cl)C |
InChI | InChI | 1.03 | InChI=1S/C21H28Cl2N2O4S/c1-15(2)25(11-10-16-4-9-20(22)21(23)12-16)13-18(26)14-29-19-7-5-17(6-8-19)24-30(3,27)28/h4-9,12,15,18,24,26H,10-11,13-14H2,1-3H3/t18-/m0/s1 |
InChIKey | InChI | 1.03 | WOHKJBQMRNLVHV-SFHVURJKSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)N(CCc1ccc(Cl)c(Cl)c1)C[C@H](O)COc2ccc(N[S](C)(=O)=O)cc2 |
SMILES | CACTVS | 3.385 | CC(C)N(CCc1ccc(Cl)c(Cl)c1)C[CH](O)COc2ccc(N[S](C)(=O)=O)cc2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(C)N(CCc1ccc(c(c1)Cl)Cl)C[C@@H](COc2ccc(cc2)NS(=O)(=O)C)O |
SMILES | OpenEye OEToolkits | 2.0.6 | CC(C)N(CCc1ccc(c(c1)Cl)Cl)CC(COc2ccc(cc2)NS(=O)(=O)C)O |