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

Systemtic Name: 1-(5-butanoyl-3-cyano-6-methylsulfanyl-pyridin-2-yl)-N-[(4-methylphenyl)methylsulfonyl]piperidine-4-carboxamide Openeye Name: 1-(5-butanoyl-3-cyano-6-methylsulfanyl-2-pyridyl)-N-(p-tolylmethylsulfonyl)piperidine-4-carboxamide CAS Name: 1-[3-cyano-6-(methylthio)-5-(1-oxobutyl)-2-pyridinyl]-N-[(4-methylphenyl)methylsulfonyl]-4-piperidinecarboxamide IUPAC Name: 1-(5-butanoyl-3-cyano-6-methylsulfanylpyridin-2-yl)-N-[(4-methylphenyl)methylsulfonyl]piperidine-4-carboxamide Traditional Name: 1-[5-butyryl-3-cyano-6-(methylthio)-2-pyridyl]-N-(4-methylbenzyl)sulfonyl-isonipecotamide Formula: C25H30N4O4S2 MolecularWeight: 514.6601

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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)C)SC

Isomeric SMILES

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

InChI

InChI=1S/C25H30N4O4S2/c1-4-5-22(30)21-14-20(15-26)23(27-25(21)34-3)29-12-10-19(11-13-29)24(31)28-35(32,33)16-18-8-6-17(2)7-9-18/h6-9,14,19H,4-5,10-13,16H2,1-3H3,(H,28,31)