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

Systemtic Name: ethyl 5-cyano-6-[4-[(4-methoxyphenyl)methylsulfonylcarbamoyl]piperidin-1-yl]-2-[(2-oxidanylidenepyrrolidin-1-yl)methyl]pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-[4-[(4-methoxyphenyl)methylsulfonylcarbamoyl]-1-piperidyl]-2-[(2-oxopyrrolidin-1-yl)methyl]pyridine-3-carboxylate CAS Name: 5-cyano-6-[4-[[(4-methoxyphenyl)methylsulfonylamino]-oxomethyl]-1-piperidinyl]-2-[(2-oxo-1-pyrrolidinyl)methyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-[4-[(4-methoxyphenyl)methylsulfonylcarbamoyl]piperidin-1-yl]-2-[(2-oxopyrrolidin-1-yl)methyl]pyridine-3-carboxylate Traditional Name: 5-cyano-2-[(2-ketopyrrolidino)methyl]-6-[4-(p-anisylsulfonylcarbamoyl)piperidino]nicotinic acid ethyl ester Formula: C28H33N5O7S MolecularWeight: 583.65592

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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)OC)CN4CCCC4=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)OC)CN4CCCC4=O

InChI

InChI=1S/C28H33N5O7S/c1-3-40-28(36)23-15-21(16-29)26(30-24(23)17-33-12-4-5-25(33)34)32-13-10-20(11-14-32)27(35)31-41(37,38)18-19-6-8-22(39-2)9-7-19/h6-9,15,20H,3-5,10-14,17-18H2,1-2H3,(H,31,35)