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

Systemtic Name: 1-(2,4-dimethylphenyl)sulfonyl-N-[phenyl(pyridin-2-yl)methyl]piperidine-4-carboxamide Openeye Name: 1-(2,4-dimethylphenyl)sulfonyl-N-[phenyl(2-pyridyl)methyl]piperidine-4-carboxamide CAS Name: 1-(2,4-dimethylphenyl)sulfonyl-N-[phenyl(2-pyridinyl)methyl]-4-piperidinecarboxamide IUPAC Name: 1-(2,4-dimethylphenyl)sulfonyl-N-[phenyl(pyridin-2-yl)methyl]piperidine-4-carboxamide Traditional Name: 1-(2,4-dimethylphenyl)sulfonyl-N-[phenyl(2-pyridyl)methyl]isonipecotamide Formula: C26H29N3O3S MolecularWeight: 463.59176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29N3O3S/c1-19-11-12-24(20(2)18-19)33(31,32)29-16-13-22(14-17-29)26(30)28-25(21-8-4-3-5-9-21)23-10-6-7-15-27-23/h3-12,15,18,22,25H,13-14,16-17H2,1-2H3,(H,28,30)