4-[(2-chlorophenyl)methyl]-4-(hydroxymethyl)-N-(3-methylsulfanylphenyl)piperidine-1-carboxamide

Systemtic Name: 4-[(2-chlorophenyl)methyl]-4-(hydroxymethyl)-N-(3-methylsulfanylphenyl)piperidine-1-carboxamide Openeye Name: 4-[(2-chlorophenyl)methyl]-4-(hydroxymethyl)-N-(3-methylsulfanylphenyl)piperidine-1-carboxamide CAS Name: 4-[(2-chlorophenyl)methyl]-4-(hydroxymethyl)-N-[3-(methylthio)phenyl]-1-piperidinecarboxamide IUPAC Name: 4-[(2-chlorophenyl)methyl]-4-(hydroxymethyl)-N-(3-methylsulfanylphenyl)piperidine-1-carboxamide Traditional Name: 4-(2-chlorobenzyl)-4-methylol-N-[3-(methylthio)phenyl]piperidine-1-carboxamide Formula: C21H25ClN2O2S MolecularWeight: 404.9534

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)N2CCC(CC2)(CC3=CC=CC=C3Cl)CO

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)N2CCC(CC2)(CC3=CC=CC=C3Cl)CO

InChI

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