N-(3-methylsulfanylphenyl)-1-(phenylmethyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(3-methylsulfanylphenyl)-1-(phenylmethyl)sulfonyl-piperidine-4-carboxamide Openeye Name: 1-benzylsulfonyl-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide CAS Name: N-[3-(methylthio)phenyl]-1-(phenylmethyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: 1-benzylsulfonyl-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide Traditional Name: 1-benzylsulfonyl-N-[3-(methylthio)phenyl]isonipecotamide Formula: C20H24N2O3S2 MolecularWeight: 404.54616

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C20H24N2O3S2/c1-26-19-9-5-8-18(14-19)21-20(23)17-10-12-22(13-11-17)27(24,25)15-16-6-3-2-4-7-16/h2-9,14,17H,10-13,15H2,1H3,(H,21,23)