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

Systemtic Name: 1-[3-cyano-6-[(2-oxidanylidenepyrrolidin-1-yl)methyl]-5-propanoyl-pyridin-2-yl]-N-(phenylmethyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-benzylsulfonyl-1-[3-cyano-6-[(2-oxopyrrolidin-1-yl)methyl]-5-propanoyl-2-pyridyl]piperidine-4-carboxamide CAS Name: 1-[3-cyano-5-(1-oxopropyl)-6-[(2-oxo-1-pyrrolidinyl)methyl]-2-pyridinyl]-N-(phenylmethyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-benzylsulfonyl-1-[3-cyano-6-[(2-oxopyrrolidin-1-yl)methyl]-5-propanoylpyridin-2-yl]piperidine-4-carboxamide Traditional Name: N-benzylsulfonyl-1-[3-cyano-6-[(2-ketopyrrolidino)methyl]-5-propionyl-2-pyridyl]isonipecotamide Formula: C27H31N5O5S MolecularWeight: 537.63054

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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=CC=C3)CN4CCCC4=O

Isomeric SMILES

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

InChI

InChI=1S/C27H31N5O5S/c1-2-24(33)22-15-21(16-28)26(29-23(22)17-32-12-6-9-25(32)34)31-13-10-20(11-14-31)27(35)30-38(36,37)18-19-7-4-3-5-8-19/h3-5,7-8,15,20H,2,6,9-14,17-18H2,1H3,(H,30,35)