N-[(2-ethoxypyridin-3-yl)methyl]-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[(2-ethoxypyridin-3-yl)methyl]-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[(2-ethoxy-3-pyridyl)methyl]-1-(p-tolylsulfonyl)piperidine-4-carboxamide CAS Name: N-[(2-ethoxy-3-pyridinyl)methyl]-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[(2-ethoxypyridin-3-yl)methyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[(2-ethoxy-3-pyridyl)methyl]-1-tosyl-isonipecotamide Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC=N1)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC1=C(C=CC=N1)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H27N3O4S/c1-3-28-21-18(5-4-12-22-21)15-23-20(25)17-10-13-24(14-11-17)29(26,27)19-8-6-16(2)7-9-19/h4-9,12,17H,3,10-11,13-15H2,1-2H3,(H,23,25)