4-[4-[4-(hydroxymethyl)phenyl]phenyl]-1-(3-methylsulfanylpropyl)-N-pyridin-2-yl-piperidine-4-carboxamide

Systemtic Name: 4-[4-[4-(hydroxymethyl)phenyl]phenyl]-1-(3-methylsulfanylpropyl)-N-pyridin-2-yl-piperidine-4-carboxamide Openeye Name: 4-[4-[4-(hydroxymethyl)phenyl]phenyl]-1-(3-methylsulfanylpropyl)-N-(2-pyridyl)piperidine-4-carboxamide CAS Name: 4-[4-[4-(hydroxymethyl)phenyl]phenyl]-1-[3-(methylthio)propyl]-N-(2-pyridinyl)-4-piperidinecarboxamide IUPAC Name: 4-[4-[4-(hydroxymethyl)phenyl]phenyl]-1-(3-methylsulfanylpropyl)-N-pyridin-2-ylpiperidine-4-carboxamide Traditional Name: 4-[4-(4-methylolphenyl)phenyl]-1-[3-(methylthio)propyl]-N-(2-pyridyl)isonipecotamide Formula: C28H33N3O2S MolecularWeight: 475.64552

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Descriptors Computed from Structure

Canonical SMILES:

CSCCCN1CCC(CC1)(C2=CC=C(C=C2)C3=CC=C(C=C3)CO)C(=O)NC4=CC=CC=N4

Isomeric SMILES

CSCCCN1CCC(CC1)(C2=CC=C(C=C2)C3=CC=C(C=C3)CO)C(=O)NC4=CC=CC=N4

InChI

InChI=1S/C28H33N3O2S/c1-34-20-4-17-31-18-14-28(15-19-31,27(33)30-26-5-2-3-16-29-26)25-12-10-24(11-13-25)23-8-6-22(21-32)7-9-23/h2-3,5-13,16,32H,4,14-15,17-21H2,1H3,(H,29,30,33)