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

Systemtic Name: ethyl 5-cyano-2-methyl-6-[3-(3-oxidanylidene-3-phenylmethoxy-propyl)-4-[(phenylmethyl)sulfonylcarbamoyl]piperidin-1-yl]pyridine-3-carboxylate Openeye Name: ethyl 6-[3-(3-benzyloxy-3-oxo-propyl)-4-(benzylsulfonylcarbamoyl)-1-piperidyl]-5-cyano-2-methyl-pyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-6-[3-(3-oxo-3-phenylmethoxypropyl)-4-[oxo-[(phenylmethyl)sulfonylamino]methyl]-1-piperidinyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[4-(benzylsulfonylcarbamoyl)-3-(3-oxo-3-phenylmethoxypropyl)piperidin-1-yl]-5-cyano-2-methylpyridine-3-carboxylate Traditional Name: 6-[3-(3-benzoxy-3-keto-propyl)-4-(benzylsulfonylcarbamoyl)piperidino]-5-cyano-2-methyl-nicotinic acid ethyl ester Formula: C33H36N4O7S MolecularWeight: 632.72654

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)N2CCC(C(C2)CCC(=O)OCC3=CC=CC=C3)C(=O)NS(=O)(=O)CC4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)N2CCC(C(C2)CCC(=O)OCC3=CC=CC=C3)C(=O)NS(=O)(=O)CC4=CC=CC=C4)C

InChI

InChI=1S/C33H36N4O7S/c1-3-43-33(40)29-18-27(19-34)31(35-23(29)2)37-17-16-28(32(39)36-45(41,42)22-25-12-8-5-9-13-25)26(20-37)14-15-30(38)44-21-24-10-6-4-7-11-24/h4-13,18,26,28H,3,14-17,20-22H2,1-2H3,(H,36,39)