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

Systemtic Name: propan-2-yl 5-cyano-2-[(2-oxidanylidenepyrrolidin-1-yl)methyl]-6-[4-[(phenylmethyl)sulfonylcarbamoyl]piperidin-1-yl]pyridine-3-carboxylate Openeye Name: isopropyl 6-[4-(benzylsulfonylcarbamoyl)-1-piperidyl]-5-cyano-2-[(2-oxopyrrolidin-1-yl)methyl]pyridine-3-carboxylate CAS Name: 5-cyano-6-[4-[oxo-[(phenylmethyl)sulfonylamino]methyl]-1-piperidinyl]-2-[(2-oxo-1-pyrrolidinyl)methyl]-3-pyridinecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 6-[4-(benzylsulfonylcarbamoyl)piperidin-1-yl]-5-cyano-2-[(2-oxopyrrolidin-1-yl)methyl]pyridine-3-carboxylate Traditional Name: 6-[4-(benzylsulfonylcarbamoyl)piperidino]-5-cyano-2-[(2-ketopyrrolidino)methyl]nicotinic acid isopropyl ester Formula: C28H33N5O6S MolecularWeight: 567.65652

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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)CC3=CC=CC=C3)CN4CCCC4=O

Isomeric SMILES

CC(C)OC(=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/C28H33N5O6S/c1-19(2)39-28(36)23-15-22(16-29)26(30-24(23)17-33-12-6-9-25(33)34)32-13-10-21(11-14-32)27(35)31-40(37,38)18-20-7-4-3-5-8-20/h3-5,7-8,15,19,21H,6,9-14,17-18H2,1-2H3,(H,31,35)