4-[(4-chlorophenyl)methyl]-4-(hydroxymethyl)-N-(4-methylsulfanylphenyl)piperidine-1-carboxamide

Systemtic Name: 4-[(4-chlorophenyl)methyl]-4-(hydroxymethyl)-N-(4-methylsulfanylphenyl)piperidine-1-carboxamide Openeye Name: 4-[(4-chlorophenyl)methyl]-4-(hydroxymethyl)-N-(4-methylsulfanylphenyl)piperidine-1-carboxamide CAS Name: 4-[(4-chlorophenyl)methyl]-4-(hydroxymethyl)-N-[4-(methylthio)phenyl]-1-piperidinecarboxamide IUPAC Name: 4-[(4-chlorophenyl)methyl]-4-(hydroxymethyl)-N-(4-methylsulfanylphenyl)piperidine-1-carboxamide Traditional Name: 4-(4-chlorobenzyl)-4-methylol-N-[4-(methylthio)phenyl]piperidine-1-carboxamide Formula: C21H25ClN2O2S MolecularWeight: 404.9534

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)NC(=O)N2CCC(CC2)(CC3=CC=C(C=C3)Cl)CO

Isomeric SMILES

CSC1=CC=C(C=C1)NC(=O)N2CCC(CC2)(CC3=CC=C(C=C3)Cl)CO

InChI

InChI=1S/C21H25ClN2O2S/c1-27-19-8-6-18(7-9-19)23-20(26)24-12-10-21(15-25,11-13-24)14-16-2-4-17(22)5-3-16/h2-9,25H,10-15H2,1H3,(H,23,26)