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

Systemtic Name: propan-2-yl 5-cyano-6-[4-(cyclopentylmethylsulfonylcarbamoyl)piperidin-1-yl]-2-[(2-oxidanylidenepyrrolidin-1-yl)methyl]pyridine-3-carboxylate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C27H37N5O6S MolecularWeight: 559.67758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H37N5O6S/c1-18(2)38-27(35)22-14-21(15-28)25(29-23(22)16-32-11-5-8-24(32)33)31-12-9-20(10-13-31)26(34)30-39(36,37)17-19-6-3-4-7-19/h14,18-20H,3-13,16-17H2,1-2H3,(H,30,34)