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

Systemtic Name: N-[[2,4-bis(fluoranyl)phenyl]methylsulfonyl]-1-(5-butanoyl-3-cyano-6-methylsulfanyl-pyridin-2-yl)piperidine-4-carboxamide Openeye Name: 1-(5-butanoyl-3-cyano-6-methylsulfanyl-2-pyridyl)-N-[(2,4-difluorophenyl)methylsulfonyl]piperidine-4-carboxamide CAS Name: 1-[3-cyano-6-(methylthio)-5-(1-oxobutyl)-2-pyridinyl]-N-[(2,4-difluorophenyl)methylsulfonyl]-4-piperidinecarboxamide IUPAC Name: 1-(5-butanoyl-3-cyano-6-methylsulfanylpyridin-2-yl)-N-[(2,4-difluorophenyl)methylsulfonyl]piperidine-4-carboxamide Traditional Name: 1-[5-butyryl-3-cyano-6-(methylthio)-2-pyridyl]-N-(2,4-difluorobenzyl)sulfonyl-isonipecotamide Formula: C24H26F2N4O4S2 MolecularWeight: 536.614446

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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=C(C=C(C=C3)F)F)SC

Isomeric SMILES

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

InChI

InChI=1S/C24H26F2N4O4S2/c1-3-4-21(31)19-11-17(13-27)22(28-24(19)35-2)30-9-7-15(8-10-30)23(32)29-36(33,34)14-16-5-6-18(25)12-20(16)26/h5-6,11-12,15H,3-4,7-10,14H2,1-2H3,(H,29,32)