4-[[1-[2-(4-cyanophenyl)ethyl]-4-oxidanyl-piperidin-4-yl]methylsulfanyl]benzoic acid

Systemtic Name: 4-[[1-[2-(4-cyanophenyl)ethyl]-4-oxidanyl-piperidin-4-yl]methylsulfanyl]benzoic acid Openeye Name: 4-[[1-[2-(4-cyanophenyl)ethyl]-4-hydroxy-4-piperidyl]methylsulfanyl]benzoic acid CAS Name: 4-[[1-[2-(4-cyanophenyl)ethyl]-4-hydroxy-4-piperidinyl]methylthio]benzoic acid IUPAC Name: 4-[[1-[2-(4-cyanophenyl)ethyl]-4-hydroxypiperidin-4-yl]methylsulfanyl]benzoic acid Traditional Name: 4-[[1-[2-(4-cyanophenyl)ethyl]-4-hydroxy-4-piperidyl]methylthio]benzoic acid Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(CSC2=CC=C(C=C2)C(=O)O)O)CCC3=CC=C(C=C3)C#N

Isomeric SMILES

C1CN(CCC1(CSC2=CC=C(C=C2)C(=O)O)O)CCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H24N2O3S/c23-15-18-3-1-17(2-4-18)9-12-24-13-10-22(27,11-14-24)16-28-20-7-5-19(6-8-20)21(25)26/h1-8,27H,9-14,16H2,(H,25,26)