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

Systemtic Name: 1-(5-butanoyl-3-cyano-6-methylsulfanyl-pyridin-2-yl)-N-[(2-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide Openeye Name: 1-(5-butanoyl-3-cyano-6-methylsulfanyl-2-pyridyl)-N-[(2-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide CAS Name: 1-[3-cyano-6-(methylthio)-5-(1-oxobutyl)-2-pyridinyl]-N-[(2-fluorophenyl)methylsulfonyl]-4-piperidinecarboxamide IUPAC Name: 1-(5-butanoyl-3-cyano-6-methylsulfanylpyridin-2-yl)-N-[(2-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide Traditional Name: 1-[5-butyryl-3-cyano-6-(methylthio)-2-pyridyl]-N-(2-fluorobenzyl)sulfonyl-isonipecotamide Formula: C24H27FN4O4S2 MolecularWeight: 518.623983

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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=C3F)SC

Isomeric SMILES

CCCC(=O)C1=C(N=C(C(=C1)C#N)N2CCC(CC2)C(=O)NS(=O)(=O)CC3=CC=CC=C3F)SC

InChI

InChI=1S/C24H27FN4O4S2/c1-3-6-21(30)19-13-18(14-26)22(27-24(19)34-2)29-11-9-16(10-12-29)23(31)28-35(32,33)15-17-7-4-5-8-20(17)25/h4-5,7-8,13,16H,3,6,9-12,15H2,1-2H3,(H,28,31)