1-[3-cyano-6-[(2-oxidanylidenepyrrolidin-1-yl)methyl]-5-propanoyl-pyridin-2-yl]-N-[(4-methylphenyl)methylsulfonyl]piperidine-4-carboxamide

Systemtic Name: 1-[3-cyano-6-[(2-oxidanylidenepyrrolidin-1-yl)methyl]-5-propanoyl-pyridin-2-yl]-N-[(4-methylphenyl)methylsulfonyl]piperidine-4-carboxamide Openeye Name: 1-[3-cyano-6-[(2-oxopyrrolidin-1-yl)methyl]-5-propanoyl-2-pyridyl]-N-(p-tolylmethylsulfonyl)piperidine-4-carboxamide CAS Name: 1-[3-cyano-5-(1-oxopropyl)-6-[(2-oxo-1-pyrrolidinyl)methyl]-2-pyridinyl]-N-[(4-methylphenyl)methylsulfonyl]-4-piperidinecarboxamide IUPAC Name: 1-[3-cyano-6-[(2-oxopyrrolidin-1-yl)methyl]-5-propanoylpyridin-2-yl]-N-[(4-methylphenyl)methylsulfonyl]piperidine-4-carboxamide Traditional Name: 1-[3-cyano-6-[(2-ketopyrrolidino)methyl]-5-propionyl-2-pyridyl]-N-(4-methylbenzyl)sulfonyl-isonipecotamide Formula: C28H33N5O5S MolecularWeight: 551.65712

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=C(N=C(C(=C1)C#N)N2CCC(CC2)C(=O)NS(=O)(=O)CC3=CC=C(C=C3)C)CN4CCCC4=O

Isomeric SMILES

CCC(=O)C1=C(N=C(C(=C1)C#N)N2CCC(CC2)C(=O)NS(=O)(=O)CC3=CC=C(C=C3)C)CN4CCCC4=O

InChI

InChI=1S/C28H33N5O5S/c1-3-25(34)23-15-22(16-29)27(30-24(23)17-33-12-4-5-26(33)35)32-13-10-21(11-14-32)28(36)31-39(37,38)18-20-8-6-19(2)7-9-20/h6-9,15,21H,3-5,10-14,17-18H2,1-2H3,(H,31,36)