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

Systemtic Name: propan-2-yl 5-cyano-6-[4-[(4-methylphenyl)methylsulfonylcarbamoyl]piperidin-1-yl]-2-[(2-oxidanylidenepyrrolidin-1-yl)methyl]pyridine-3-carboxylate Openeye Name: isopropyl 5-cyano-2-[(2-oxopyrrolidin-1-yl)methyl]-6-[4-(p-tolylmethylsulfonylcarbamoyl)-1-piperidyl]pyridine-3-carboxylate CAS Name: 5-cyano-6-[4-[[(4-methylphenyl)methylsulfonylamino]-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-[(4-methylphenyl)methylsulfonylcarbamoyl]piperidin-1-yl]-2-[(2-oxopyrrolidin-1-yl)methyl]pyridine-3-carboxylate Traditional Name: 5-cyano-2-[(2-ketopyrrolidino)methyl]-6-[4-[(4-methylbenzyl)sulfonylcarbamoyl]piperidino]nicotinic acid isopropyl ester Formula: C29H35N5O6S MolecularWeight: 581.6831

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CS(=O)(=O)NC(=O)C2CCN(CC2)C3=NC(=C(C=C3C#N)C(=O)OC(C)C)CN4CCCC4=O

Isomeric SMILES

CC1=CC=C(C=C1)CS(=O)(=O)NC(=O)C2CCN(CC2)C3=NC(=C(C=C3C#N)C(=O)OC(C)C)CN4CCCC4=O

InChI

InChI=1S/C29H35N5O6S/c1-19(2)40-29(37)24-15-23(16-30)27(31-25(24)17-34-12-4-5-26(34)35)33-13-10-22(11-14-33)28(36)32-41(38,39)18-21-8-6-20(3)7-9-21/h6-9,15,19,22H,4-5,10-14,17-18H2,1-3H3,(H,32,36)