1-(3,4-dimethylphenyl)sulfonyl-N-[(2-phenylmethoxypyridin-4-yl)methyl]piperidine-4-carboxamide

Systemtic Name: 1-(3,4-dimethylphenyl)sulfonyl-N-[(2-phenylmethoxypyridin-4-yl)methyl]piperidine-4-carboxamide Openeye Name: N-[(2-benzyloxy-4-pyridyl)methyl]-1-(3,4-dimethylphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: 1-(3,4-dimethylphenyl)sulfonyl-N-[(2-phenylmethoxy-4-pyridinyl)methyl]-4-piperidinecarboxamide IUPAC Name: 1-(3,4-dimethylphenyl)sulfonyl-N-[(2-phenylmethoxypyridin-4-yl)methyl]piperidine-4-carboxamide Traditional Name: N-[(2-benzoxy-4-pyridyl)methyl]-1-(3,4-dimethylphenyl)sulfonyl-isonipecotamide Formula: C27H31N3O4S MolecularWeight: 493.61774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC(=NC=C3)OCC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC(=NC=C3)OCC4=CC=CC=C4)C

InChI

InChI=1S/C27H31N3O4S/c1-20-8-9-25(16-21(20)2)35(32,33)30-14-11-24(12-15-30)27(31)29-18-23-10-13-28-26(17-23)34-19-22-6-4-3-5-7-22/h3-10,13,16-17,24H,11-12,14-15,18-19H2,1-2H3,(H,29,31)