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

Systemtic Name: ethyl 5-cyano-2-[(2-oxidanylidenepyrrolidin-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-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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C27H31N5O6S MolecularWeight: 553.62994

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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)CN4CCCC4=O

Isomeric SMILES

CCOC(=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/C27H31N5O6S/c1-2-38-27(35)22-15-21(16-28)25(29-23(22)17-32-12-6-9-24(32)33)31-13-10-20(11-14-31)26(34)30-39(36,37)18-19-7-4-3-5-8-19/h3-5,7-8,15,20H,2,6,9-14,17-18H2,1H3,(H,30,34)