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

Systemtic Name: propan-2-yl 5-cyano-2-[(2-oxidanylidenepiperidin-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-oxo-1-piperidyl)methyl]pyridine-3-carboxylate CAS Name: 5-cyano-6-[4-[oxo-[(phenylmethyl)sulfonylamino]methyl]-1-piperidinyl]-2-[(2-oxo-1-piperidinyl)methyl]-3-pyridinecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 6-[4-(benzylsulfonylcarbamoyl)piperidin-1-yl]-5-cyano-2-[(2-oxopiperidin-1-yl)methyl]pyridine-3-carboxylate Traditional Name: 6-[4-(benzylsulfonylcarbamoyl)piperidino]-5-cyano-2-[(2-ketopiperidino)methyl]nicotinic acid isopropyl ester Formula: C29H35N5O6S MolecularWeight: 581.6831

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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)CN4CCCCC4=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)CN4CCCCC4=O

InChI

InChI=1S/C29H35N5O6S/c1-20(2)40-29(37)24-16-23(17-30)27(31-25(24)18-34-13-7-6-10-26(34)35)33-14-11-22(12-15-33)28(36)32-41(38,39)19-21-8-4-3-5-9-21/h3-5,8-9,16,20,22H,6-7,10-15,18-19H2,1-2H3,(H,32,36)