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

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-1-pyridin-3-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-1-(3-pyridylsulfonyl)piperidine-4-carboxamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-1-(3-pyridinylsulfonyl)-4-piperidinecarboxamide IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide Traditional Name: 1-(3-pyridylsulfonyl)-N-veratryl-isonipecotamide Formula: C20H25N3O5S MolecularWeight: 419.4946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CN=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CN=CC=C3)OC

InChI

InChI=1S/C20H25N3O5S/c1-27-18-6-5-15(12-19(18)28-2)13-22-20(24)16-7-10-23(11-8-16)29(25,26)17-4-3-9-21-14-17/h3-6,9,12,14,16H,7-8,10-11,13H2,1-2H3,(H,22,24)