1-(3,4-dimethylphenyl)sulfonyl-N-(phenylmethyl)-N-pyridin-2-yl-piperidine-4-carboxamide

Systemtic Name: 1-(3,4-dimethylphenyl)sulfonyl-N-(phenylmethyl)-N-pyridin-2-yl-piperidine-4-carboxamide Openeye Name: N-benzyl-1-(3,4-dimethylphenyl)sulfonyl-N-(2-pyridyl)piperidine-4-carboxamide CAS Name: 1-(3,4-dimethylphenyl)sulfonyl-N-(phenylmethyl)-N-(2-pyridinyl)-4-piperidinecarboxamide IUPAC Name: N-benzyl-1-(3,4-dimethylphenyl)sulfonyl-N-pyridin-2-ylpiperidine-4-carboxamide Traditional Name: N-benzyl-1-(3,4-dimethylphenyl)sulfonyl-N-(2-pyridyl)isonipecotamide Formula: C26H29N3O3S MolecularWeight: 463.59176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N(CC3=CC=CC=C3)C4=CC=CC=N4)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N(CC3=CC=CC=C3)C4=CC=CC=N4)C

InChI

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