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

Systemtic Name: propan-2-yl 5-cyano-6-[4-(cyclobutylmethylsulfonylcarbamoyl)piperidin-1-yl]-2-[(2-oxidanylidenepyrrolidin-1-yl)methyl]pyridine-3-carboxylate Openeye Name: isopropyl 5-cyano-6-[4-(cyclobutylmethylsulfonylcarbamoyl)-1-piperidyl]-2-[(2-oxopyrrolidin-1-yl)methyl]pyridine-3-carboxylate CAS Name: 5-cyano-6-[4-[(cyclobutylmethylsulfonylamino)-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-(cyclobutylmethylsulfonylcarbamoyl)piperidin-1-yl]-2-[(2-oxopyrrolidin-1-yl)methyl]pyridine-3-carboxylate Traditional Name: 5-cyano-6-[4-(cyclobutylmethylsulfonylcarbamoyl)piperidino]-2-[(2-ketopyrrolidino)methyl]nicotinic acid isopropyl ester Formula: C26H35N5O6S MolecularWeight: 545.651

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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)CC3CCC3)CN4CCCC4=O

Isomeric SMILES

CC(C)OC(=O)C1=C(N=C(C(=C1)C#N)N2CCC(CC2)C(=O)NS(=O)(=O)CC3CCC3)CN4CCCC4=O

InChI

InChI=1S/C26H35N5O6S/c1-17(2)37-26(34)21-13-20(14-27)24(28-22(21)15-31-10-4-7-23(31)32)30-11-8-19(9-12-30)25(33)29-38(35,36)16-18-5-3-6-18/h13,17-19H,3-12,15-16H2,1-2H3,(H,29,33)