N-[phenyl(pyridin-2-yl)methyl]-1-(2,4,6-trimethylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[phenyl(pyridin-2-yl)methyl]-1-(2,4,6-trimethylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[phenyl(2-pyridyl)methyl]-1-(2,4,6-trimethylphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[phenyl(2-pyridinyl)methyl]-1-(2,4,6-trimethylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[phenyl(pyridin-2-yl)methyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: 1-mesitylsulfonyl-N-[phenyl(2-pyridyl)methyl]isonipecotamide Formula: C27H31N3O3S MolecularWeight: 477.61834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC(CC2)C(=O)NC(C3=CC=CC=C3)C4=CC=CC=N4)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC(CC2)C(=O)NC(C3=CC=CC=C3)C4=CC=CC=N4)C

InChI

InChI=1S/C27H31N3O3S/c1-19-17-20(2)26(21(3)18-19)34(32,33)30-15-12-23(13-16-30)27(31)29-25(22-9-5-4-6-10-22)24-11-7-8-14-28-24/h4-11,14,17-18,23,25H,12-13,15-16H2,1-3H3,(H,29,31)