ethyl 5-cyano-6-[4-(cyclopentylmethylsulfonylcarbamoyl)piperidin-1-yl]-2-[(2-oxidanylidenepyrrolidin-1-yl)methyl]pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-6-[4-(cyclopentylmethylsulfonylcarbamoyl)piperidin-1-yl]-2-[(2-oxidanylidenepyrrolidin-1-yl)methyl]pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-[4-(cyclopentylmethylsulfonylcarbamoyl)-1-piperidyl]-2-[(2-oxopyrrolidin-1-yl)methyl]pyridine-3-carboxylate CAS Name: 5-cyano-6-[4-[(cyclopentylmethylsulfonylamino)-oxomethyl]-1-piperidinyl]-2-[(2-oxo-1-pyrrolidinyl)methyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-[4-(cyclopentylmethylsulfonylcarbamoyl)piperidin-1-yl]-2-[(2-oxopyrrolidin-1-yl)methyl]pyridine-3-carboxylate Traditional Name: 5-cyano-6-[4-(cyclopentylmethylsulfonylcarbamoyl)piperidino]-2-[(2-ketopyrrolidino)methyl]nicotinic acid ethyl ester Formula: C26H35N5O6S MolecularWeight: 545.651

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)N2CCC(CC2)C(=O)NS(=O)(=O)CC3CCCC3)CN4CCCC4=O

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)N2CCC(CC2)C(=O)NS(=O)(=O)CC3CCCC3)CN4CCCC4=O

InChI

InChI=1S/C26H35N5O6S/c1-2-37-26(34)21-14-20(15-27)24(28-22(21)16-31-11-5-8-23(31)32)30-12-9-19(10-13-30)25(33)29-38(35,36)17-18-6-3-4-7-18/h14,18-19H,2-13,16-17H2,1H3,(H,29,33)