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

Systemtic Name: 1-[3-cyano-6-[(2-oxidanylidenepyrrolidin-1-yl)methyl]-5-pent-4-enoyl-pyridin-2-yl]-N-(phenylmethyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-benzylsulfonyl-1-[3-cyano-6-[(2-oxopyrrolidin-1-yl)methyl]-5-pent-4-enoyl-2-pyridyl]piperidine-4-carboxamide CAS Name: 1-[3-cyano-5-(1-oxopent-4-enyl)-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-pent-4-enoylpyridin-2-yl]piperidine-4-carboxamide Traditional Name: N-benzylsulfonyl-1-[3-cyano-6-[(2-ketopyrrolidino)methyl]-5-pent-4-enoyl-2-pyridyl]isonipecotamide Formula: C29H33N5O5S MolecularWeight: 563.66782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C=CCCC(=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/C29H33N5O5S/c1-2-3-10-26(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)20-21-8-5-4-6-9-21/h2,4-6,8-9,17,22H,1,3,7,10-16,19-20H2,(H,32,37)