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

Systemtic Name: ethyl 5-cyano-2-[(2-oxidanylidenepiperidin-1-yl)methyl]-6-[4-[(phenylmethyl)sulfonylcarbamoyl]piperidin-1-yl]pyridine-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C28H33N5O6S MolecularWeight: 567.65652

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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=CC=C3)CN4CCCCC4=O

Isomeric SMILES

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