1-(5-butanoyl-3-cyano-6-methyl-pyridin-2-yl)-N-[(4-chlorophenyl)methylsulfonyl]piperidine-4-carboxamide

Systemtic Name: 1-(5-butanoyl-3-cyano-6-methyl-pyridin-2-yl)-N-[(4-chlorophenyl)methylsulfonyl]piperidine-4-carboxamide Openeye Name: 1-(5-butanoyl-3-cyano-6-methyl-2-pyridyl)-N-[(4-chlorophenyl)methylsulfonyl]piperidine-4-carboxamide CAS Name: N-[(4-chlorophenyl)methylsulfonyl]-1-[3-cyano-6-methyl-5-(1-oxobutyl)-2-pyridinyl]-4-piperidinecarboxamide IUPAC Name: 1-(5-butanoyl-3-cyano-6-methylpyridin-2-yl)-N-[(4-chlorophenyl)methylsulfonyl]piperidine-4-carboxamide Traditional Name: 1-(5-butyryl-3-cyano-6-methyl-2-pyridyl)-N-(4-chlorobenzyl)sulfonyl-isonipecotamide Formula: C24H27ClN4O4S MolecularWeight: 503.01358

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=C(N=C(C(=C1)C#N)N2CCC(CC2)C(=O)NS(=O)(=O)CC3=CC=C(C=C3)Cl)C

Isomeric SMILES

CCCC(=O)C1=C(N=C(C(=C1)C#N)N2CCC(CC2)C(=O)NS(=O)(=O)CC3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C24H27ClN4O4S/c1-3-4-22(30)21-13-19(14-26)23(27-16(21)2)29-11-9-18(10-12-29)24(31)28-34(32,33)15-17-5-7-20(25)8-6-17/h5-8,13,18H,3-4,9-12,15H2,1-2H3,(H,28,31)