4-[[4-(4-chlorophenyl)-4-oxidanyl-piperidin-1-yl]-sulfanyl-methylidene]-2,6-dimethoxy-cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[[4-(4-chlorophenyl)-4-oxidanyl-piperidin-1-yl]-sulfanyl-methylidene]-2,6-dimethoxy-cyclohexa-2,5-dien-1-one Openeye Name: 4-[[4-(4-chlorophenyl)-4-hydroxy-1-piperidyl]-sulfanyl-methylene]-2,6-dimethoxy-cyclohexa-2,5-dien-1-one CAS Name: 4-[[4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl]-mercaptomethylidene]-2,6-dimethoxy-1-cyclohexa-2,5-dienone IUPAC Name: 4-[[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-sulfanylmethylidene]-2,6-dimethoxycyclohexa-2,5-dien-1-one Traditional Name: 4-[[4-(4-chlorophenyl)-4-hydroxy-piperidino]-mercapto-methylene]-2,6-dimethoxy-cyclohexa-2,5-dien-1-one Formula: C20H22ClNO4S MolecularWeight: 407.91098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(N2CCC(CC2)(C3=CC=C(C=C3)Cl)O)S)C=C(C1=O)OC

Isomeric SMILES

COC1=CC(=C(N2CCC(CC2)(C3=CC=C(C=C3)Cl)O)S)C=C(C1=O)OC

InChI

InChI=1S/C20H22ClNO4S/c1-25-16-11-13(12-17(26-2)18(16)23)19(27)22-9-7-20(24,8-10-22)14-3-5-15(21)6-4-14/h3-6,11-12,24,27H,7-10H2,1-2H3