N-[(3,4-dimethylphenyl)-phenyl-methyl]-1-pyridin-3-ylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[(3,4-dimethylphenyl)-phenyl-methyl]-1-pyridin-3-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[(3,4-dimethylphenyl)-phenyl-methyl]-1-(3-pyridylsulfonyl)piperidine-4-carboxamide CAS Name: N-[(3,4-dimethylphenyl)-phenylmethyl]-1-(3-pyridinylsulfonyl)-4-piperidinecarboxamide IUPAC Name: N-[(3,4-dimethylphenyl)-phenylmethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-[(3,4-dimethylphenyl)-phenyl-methyl]-1-(3-pyridylsulfonyl)isonipecotamide Formula: C26H29N3O3S MolecularWeight: 463.59176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C2=CC=CC=C2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CN=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(C2=CC=CC=C2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CN=CC=C4)C

InChI

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