1-(5-butanoyl-3-cyano-6-methylsulfanyl-pyridin-2-yl)-N-(phenylmethyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: 1-(5-butanoyl-3-cyano-6-methylsulfanyl-pyridin-2-yl)-N-(phenylmethyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-benzylsulfonyl-1-(5-butanoyl-3-cyano-6-methylsulfanyl-2-pyridyl)piperidine-4-carboxamide CAS Name: 1-[3-cyano-6-(methylthio)-5-(1-oxobutyl)-2-pyridinyl]-N-(phenylmethyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-benzylsulfonyl-1-(5-butanoyl-3-cyano-6-methylsulfanylpyridin-2-yl)piperidine-4-carboxamide Traditional Name: N-benzylsulfonyl-1-[5-butyryl-3-cyano-6-(methylthio)-2-pyridyl]isonipecotamide Formula: C24H28N4O4S2 MolecularWeight: 500.63352

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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=CC=C3)SC

Isomeric SMILES

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

InChI

InChI=1S/C24H28N4O4S2/c1-3-7-21(29)20-14-19(15-25)22(26-24(20)33-2)28-12-10-18(11-13-28)23(30)27-34(31,32)16-17-8-5-4-6-9-17/h4-6,8-9,14,18H,3,7,10-13,16H2,1-2H3,(H,27,30)