N-methyl-N-[(4-methylsulfanylphenyl)methyl]-1-pyridin-3-ylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-methyl-N-[(4-methylsulfanylphenyl)methyl]-1-pyridin-3-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-methyl-N-[(4-methylsulfanylphenyl)methyl]-1-(3-pyridylsulfonyl)piperidine-4-carboxamide CAS Name: N-methyl-N-[[4-(methylthio)phenyl]methyl]-1-(3-pyridinylsulfonyl)-4-piperidinecarboxamide IUPAC Name: N-methyl-N-[(4-methylsulfanylphenyl)methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-methyl-N-[4-(methylthio)benzyl]-1-(3-pyridylsulfonyl)isonipecotamide Formula: C20H25N3O3S2 MolecularWeight: 419.5608

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)SC)C(=O)C2CCN(CC2)S(=O)(=O)C3=CN=CC=C3

Isomeric SMILES

CN(CC1=CC=C(C=C1)SC)C(=O)C2CCN(CC2)S(=O)(=O)C3=CN=CC=C3

InChI

InChI=1S/C20H25N3O3S2/c1-22(15-16-5-7-18(27-2)8-6-16)20(24)17-9-12-23(13-10-17)28(25,26)19-4-3-11-21-14-19/h3-8,11,14,17H,9-10,12-13,15H2,1-2H3