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

Systemtic Name: 3-(hydroxymethyl)-3-[(3-methoxyphenyl)methyl]-N-(4-methylsulfanylphenyl)piperidine-1-carboxamide Openeye Name: 3-(hydroxymethyl)-3-[(3-methoxyphenyl)methyl]-N-(4-methylsulfanylphenyl)piperidine-1-carboxamide CAS Name: 3-(hydroxymethyl)-3-[(3-methoxyphenyl)methyl]-N-[4-(methylthio)phenyl]-1-piperidinecarboxamide IUPAC Name: 3-(hydroxymethyl)-3-[(3-methoxyphenyl)methyl]-N-(4-methylsulfanylphenyl)piperidine-1-carboxamide Traditional Name: 3-m-anisyl-3-methylol-N-[4-(methylthio)phenyl]piperidine-1-carboxamide Formula: C22H28N2O3S MolecularWeight: 400.53432

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CC2(CCCN(C2)C(=O)NC3=CC=C(C=C3)SC)CO

Isomeric SMILES

COC1=CC=CC(=C1)CC2(CCCN(C2)C(=O)NC3=CC=C(C=C3)SC)CO

InChI

InChI=1S/C22H28N2O3S/c1-27-19-6-3-5-17(13-19)14-22(16-25)11-4-12-24(15-22)21(26)23-18-7-9-20(28-2)10-8-18/h3,5-10,13,25H,4,11-12,14-16H2,1-2H3,(H,23,26)