1-(3-ethanoylphenyl)sulfonyl-N-[phenyl(pyridin-2-yl)methyl]piperidine-4-carboxamide

Systemtic Name: 1-(3-ethanoylphenyl)sulfonyl-N-[phenyl(pyridin-2-yl)methyl]piperidine-4-carboxamide Openeye Name: 1-(3-acetylphenyl)sulfonyl-N-[phenyl(2-pyridyl)methyl]piperidine-4-carboxamide CAS Name: 1-(3-acetylphenyl)sulfonyl-N-[phenyl(2-pyridinyl)methyl]-4-piperidinecarboxamide IUPAC Name: 1-(3-acetylphenyl)sulfonyl-N-[phenyl(pyridin-2-yl)methyl]piperidine-4-carboxamide Traditional Name: 1-(3-acetylphenyl)sulfonyl-N-[phenyl(2-pyridyl)methyl]isonipecotamide Formula: C26H27N3O4S MolecularWeight: 477.57528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC(C3=CC=CC=C3)C4=CC=CC=N4

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC(C3=CC=CC=C3)C4=CC=CC=N4

InChI

InChI=1S/C26H27N3O4S/c1-19(30)22-10-7-11-23(18-22)34(32,33)29-16-13-21(14-17-29)26(31)28-25(20-8-3-2-4-9-20)24-12-5-6-15-27-24/h2-12,15,18,21,25H,13-14,16-17H2,1H3,(H,28,31)