Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C20H27ClN2O5S/c1-11(2)15-8-14(21)9-16(12(3)4)18(15)22-19(24)23-29(26,27)17-7-13(10-28-17)20(5,6)25/h7-12,25H,1-6H3,(H2,22,23,24) |
InChIKey | InChI | 1.03 | RTJGVFANTDWUEG-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)c1cc(Cl)cc(C(C)C)c1NC(=O)N[S](=O)(=O)c2occ(c2)C(C)(C)O |
SMILES | CACTVS | 3.385 | CC(C)c1cc(Cl)cc(C(C)C)c1NC(=O)N[S](=O)(=O)c2occ(c2)C(C)(C)O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)c1cc(cc(c1NC(=O)NS(=O)(=O)c2cc(co2)C(C)(C)O)C(C)C)Cl |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)c1cc(cc(c1NC(=O)NS(=O)(=O)c2cc(co2)C(C)(C)O)C(C)C)Cl |