3-[2-(4-cyanophenyl)ethyl]-2-[(4-oxidanylpiperidin-4-yl)methylsulfinyl]benzoic acid

Systemtic Name: 3-[2-(4-cyanophenyl)ethyl]-2-[(4-oxidanylpiperidin-4-yl)methylsulfinyl]benzoic acid Openeye Name: 3-[2-(4-cyanophenyl)ethyl]-2-[(4-hydroxy-4-piperidyl)methylsulfinyl]benzoic acid CAS Name: 3-[2-(4-cyanophenyl)ethyl]-2-[(4-hydroxy-4-piperidinyl)methylsulfinyl]benzoic acid IUPAC Name: 3-[2-(4-cyanophenyl)ethyl]-2-[(4-hydroxypiperidin-4-yl)methylsulfinyl]benzoic acid Traditional Name: 3-[2-(4-cyanophenyl)ethyl]-2-[(4-hydroxy-4-piperidyl)methylsulfinyl]benzoic acid Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1(CS(=O)C2=C(C=CC=C2CCC3=CC=C(C=C3)C#N)C(=O)O)O

Isomeric SMILES

C1CNCCC1(CS(=O)C2=C(C=CC=C2CCC3=CC=C(C=C3)C#N)C(=O)O)O

InChI

InChI=1S/C22H24N2O4S/c23-14-17-6-4-16(5-7-17)8-9-18-2-1-3-19(21(25)26)20(18)29(28)15-22(27)10-12-24-13-11-22/h1-7,24,27H,8-13,15H2,(H,25,26)