ethyl 5-cyano-2-[(2-oxidanylidenepiperidin-1-yl)methyl]-6-[4-[(4-propan-2-ylphenyl)methylsulfonylcarbamoyl]piperidin-1-yl]pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-2-[(2-oxidanylidenepiperidin-1-yl)methyl]-6-[4-[(4-propan-2-ylphenyl)methylsulfonylcarbamoyl]piperidin-1-yl]pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-[4-[(4-isopropylphenyl)methylsulfonylcarbamoyl]-1-piperidyl]-2-[(2-oxo-1-piperidyl)methyl]pyridine-3-carboxylate CAS Name: 5-cyano-2-[(2-oxo-1-piperidinyl)methyl]-6-[4-[oxo-[(4-propan-2-ylphenyl)methylsulfonylamino]methyl]-1-piperidinyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-2-[(2-oxopiperidin-1-yl)methyl]-6-[4-[(4-propan-2-ylphenyl)methylsulfonylcarbamoyl]piperidin-1-yl]pyridine-3-carboxylate Traditional Name: 5-cyano-6-[4-[(4-isopropylbenzyl)sulfonylcarbamoyl]piperidino]-2-[(2-ketopiperidino)methyl]nicotinic acid ethyl ester Formula: C31H39N5O6S MolecularWeight: 609.73626

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)N2CCC(CC2)C(=O)NS(=O)(=O)CC3=CC=C(C=C3)C(C)C)CN4CCCCC4=O

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)N2CCC(CC2)C(=O)NS(=O)(=O)CC3=CC=C(C=C3)C(C)C)CN4CCCCC4=O

InChI

InChI=1S/C31H39N5O6S/c1-4-42-31(39)26-17-25(18-32)29(33-27(26)19-36-14-6-5-7-28(36)37)35-15-12-24(13-16-35)30(38)34-43(40,41)20-22-8-10-23(11-9-22)21(2)3/h8-11,17,21,24H,4-7,12-16,19-20H2,1-3H3,(H,34,38)