1-[5-butanoyl-3-cyano-6-[(2-oxidanylidenepyrrolidin-1-yl)methyl]pyridin-2-yl]-N-(1-phenylethylsulfonyl)piperidine-4-carboxamide

Systemtic Name: 1-[5-butanoyl-3-cyano-6-[(2-oxidanylidenepyrrolidin-1-yl)methyl]pyridin-2-yl]-N-(1-phenylethylsulfonyl)piperidine-4-carboxamide Openeye Name: 1-[5-butanoyl-3-cyano-6-[(2-oxopyrrolidin-1-yl)methyl]-2-pyridyl]-N-(1-phenylethylsulfonyl)piperidine-4-carboxamide CAS Name: 1-[3-cyano-5-(1-oxobutyl)-6-[(2-oxo-1-pyrrolidinyl)methyl]-2-pyridinyl]-N-(1-phenylethylsulfonyl)-4-piperidinecarboxamide IUPAC Name: 1-[5-butanoyl-3-cyano-6-[(2-oxopyrrolidin-1-yl)methyl]pyridin-2-yl]-N-(1-phenylethylsulfonyl)piperidine-4-carboxamide Traditional Name: 1-[5-butyryl-3-cyano-6-[(2-ketopyrrolidino)methyl]-2-pyridyl]-N-(1-phenylethylsulfonyl)isonipecotamide Formula: C29H35N5O5S MolecularWeight: 565.6837

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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)C(C)C3=CC=CC=C3)CN4CCCC4=O

Isomeric SMILES

CCCC(=O)C1=C(N=C(C(=C1)C#N)N2CCC(CC2)C(=O)NS(=O)(=O)C(C)C3=CC=CC=C3)CN4CCCC4=O

InChI

InChI=1S/C29H35N5O5S/c1-3-8-26(35)24-17-23(18-30)28(31-25(24)19-34-14-7-11-27(34)36)33-15-12-22(13-16-33)29(37)32-40(38,39)20(2)21-9-5-4-6-10-21/h4-6,9-10,17,20,22H,3,7-8,11-16,19H2,1-2H3,(H,32,37)