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

Systemtic Name: 1-(3-cyano-6-methylsulfanyl-5-pentanoyl-pyridin-2-yl)-N-(phenylmethyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-benzylsulfonyl-1-(3-cyano-6-methylsulfanyl-5-pentanoyl-2-pyridyl)piperidine-4-carboxamide CAS Name: 1-[3-cyano-6-(methylthio)-5-(1-oxopentyl)-2-pyridinyl]-N-(phenylmethyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-benzylsulfonyl-1-(3-cyano-6-methylsulfanyl-5-pentanoylpyridin-2-yl)piperidine-4-carboxamide Traditional Name: N-benzylsulfonyl-1-[3-cyano-6-(methylthio)-5-valeryl-2-pyridyl]isonipecotamide Formula: C25H30N4O4S2 MolecularWeight: 514.6601

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N4O4S2/c1-3-4-10-22(30)21-15-20(16-26)23(27-25(21)34-2)29-13-11-19(12-14-29)24(31)28-35(32,33)17-18-8-6-5-7-9-18/h5-9,15,19H,3-4,10-14,17H2,1-2H3,(H,28,31)