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

Systemtic Name: ethyl 5-cyano-6-[4-(cyclobutylmethylsulfonylcarbamoyl)piperidin-1-yl]-2-[(2-oxidanylidenepyrrolidin-1-yl)methyl]pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-[4-(cyclobutylmethylsulfonylcarbamoyl)-1-piperidyl]-2-[(2-oxopyrrolidin-1-yl)methyl]pyridine-3-carboxylate CAS Name: 5-cyano-6-[4-[(cyclobutylmethylsulfonylamino)-oxomethyl]-1-piperidinyl]-2-[(2-oxo-1-pyrrolidinyl)methyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-[4-(cyclobutylmethylsulfonylcarbamoyl)piperidin-1-yl]-2-[(2-oxopyrrolidin-1-yl)methyl]pyridine-3-carboxylate Traditional Name: 5-cyano-6-[4-(cyclobutylmethylsulfonylcarbamoyl)piperidino]-2-[(2-ketopyrrolidino)methyl]nicotinic acid ethyl ester Formula: C25H33N5O6S MolecularWeight: 531.62442

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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)CC3CCC3)CN4CCCC4=O

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)N2CCC(CC2)C(=O)NS(=O)(=O)CC3CCC3)CN4CCCC4=O

InChI

InChI=1S/C25H33N5O6S/c1-2-36-25(33)20-13-19(14-26)23(27-21(20)15-30-10-4-7-22(30)31)29-11-8-18(9-12-29)24(32)28-37(34,35)16-17-5-3-6-17/h13,17-18H,2-12,15-16H2,1H3,(H,28,32)