N-(2-methylsulfanylphenyl)-1-(phenylmethyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(2-methylsulfanylphenyl)-1-(phenylmethyl)sulfonyl-piperidine-4-carboxamide Openeye Name: 1-benzylsulfonyl-N-(2-methylsulfanylphenyl)piperidine-4-carboxamide CAS Name: N-[2-(methylthio)phenyl]-1-(phenylmethyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: 1-benzylsulfonyl-N-(2-methylsulfanylphenyl)piperidine-4-carboxamide Traditional Name: 1-benzylsulfonyl-N-[2-(methylthio)phenyl]isonipecotamide Formula: C20H24N2O3S2 MolecularWeight: 404.54616

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

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