methyl 4-[[1-[2-(4-cyanophenyl)ethyl]-4-oxidanyl-piperidin-4-yl]methylsulfanyl]benzoate

Systemtic Name: methyl 4-[[1-[2-(4-cyanophenyl)ethyl]-4-oxidanyl-piperidin-4-yl]methylsulfanyl]benzoate Openeye Name: methyl 4-[[1-[2-(4-cyanophenyl)ethyl]-4-hydroxy-4-piperidyl]methylsulfanyl]benzoate CAS Name: 4-[[1-[2-(4-cyanophenyl)ethyl]-4-hydroxy-4-piperidinyl]methylthio]benzoic acid methyl ester IUPAC Name: methyl 4-[[1-[2-(4-cyanophenyl)ethyl]-4-hydroxypiperidin-4-yl]methylsulfanyl]benzoate Traditional Name: 4-[[1-[2-(4-cyanophenyl)ethyl]-4-hydroxy-4-piperidyl]methylthio]benzoic acid methyl ester Formula: C23H26N2O3S MolecularWeight: 410.52914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)SCC2(CCN(CC2)CCC3=CC=C(C=C3)C#N)O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)SCC2(CCN(CC2)CCC3=CC=C(C=C3)C#N)O

InChI

InChI=1S/C23H26N2O3S/c1-28-22(26)20-6-8-21(9-7-20)29-17-23(27)11-14-25(15-12-23)13-10-18-2-4-19(16-24)5-3-18/h2-9,27H,10-15,17H2,1H3