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

Systemtic Name: ethyl 5-cyano-6-[4-[(4-methoxyphenyl)methylsulfonylcarbamoyl]piperidin-1-yl]-2-[(2-oxidanylidenepiperidin-1-yl)methyl]pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-[4-[(4-methoxyphenyl)methylsulfonylcarbamoyl]-1-piperidyl]-2-[(2-oxo-1-piperidyl)methyl]pyridine-3-carboxylate CAS Name: 5-cyano-6-[4-[[(4-methoxyphenyl)methylsulfonylamino]-oxomethyl]-1-piperidinyl]-2-[(2-oxo-1-piperidinyl)methyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-[4-[(4-methoxyphenyl)methylsulfonylcarbamoyl]piperidin-1-yl]-2-[(2-oxopiperidin-1-yl)methyl]pyridine-3-carboxylate Traditional Name: 5-cyano-2-[(2-ketopiperidino)methyl]-6-[4-(p-anisylsulfonylcarbamoyl)piperidino]nicotinic acid ethyl ester Formula: C29H35N5O7S MolecularWeight: 597.6825

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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)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)OC)CN4CCCCC4=O

InChI

InChI=1S/C29H35N5O7S/c1-3-41-29(37)24-16-22(17-30)27(31-25(24)18-34-13-5-4-6-26(34)35)33-14-11-21(12-15-33)28(36)32-42(38,39)19-20-7-9-23(40-2)10-8-20/h7-10,16,21H,3-6,11-15,18-19H2,1-2H3,(H,32,36)