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

Systemtic Name: methyl 4-[[1-[2-(4-cyanophenyl)ethyl]-4-oxidanyl-piperidin-4-yl]methylsulfonyl]benzoate Openeye Name: methyl 4-[[1-[2-(4-cyanophenyl)ethyl]-4-hydroxy-4-piperidyl]methylsulfonyl]benzoate CAS Name: 4-[[1-[2-(4-cyanophenyl)ethyl]-4-hydroxy-4-piperidinyl]methylsulfonyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[1-[2-(4-cyanophenyl)ethyl]-4-hydroxypiperidin-4-yl]methylsulfonyl]benzoate Traditional Name: 4-[[1-[2-(4-cyanophenyl)ethyl]-4-hydroxy-4-piperidyl]methylsulfonyl]benzoic acid methyl ester Formula: C23H26N2O5S MolecularWeight: 442.52794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O5S/c1-30-22(26)20-6-8-21(9-7-20)31(28,29)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