N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-1-(5-cyanopyridin-2-yl)piperidine-4-carboxamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-1-(5-cyanopyridin-2-yl)piperidine-4-carboxamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-1-(5-cyano-2-pyridyl)piperidine-4-carboxamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-1-(5-cyano-2-pyridinyl)-4-piperidinecarboxamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-1-(5-cyanopyridin-2-yl)piperidine-4-carboxamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-1-(5-cyano-2-pyridyl)isonipecotamide Formula: C25H31N5O3S MolecularWeight: 481.61034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)C3=NC=C(C=C3)C#N)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)C3=NC=C(C=C3)C#N)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C25H31N5O3S/c1-19-6-8-22(16-23(19)34(32,33)30-12-4-2-3-5-13-30)28-25(31)21-10-14-29(15-11-21)24-9-7-20(17-26)18-27-24/h6-9,16,18,21H,2-5,10-15H2,1H3,(H,28,31)