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

Systemtic Name: ethyl 5-cyano-2-(phenylmethoxymethyl)-6-[4-[(phenylmethyl)sulfonylcarbamoyl]piperidin-1-yl]pyridine-3-carboxylate Openeye Name: ethyl 2-(benzyloxymethyl)-6-[4-(benzylsulfonylcarbamoyl)-1-piperidyl]-5-cyano-pyridine-3-carboxylate CAS Name: 5-cyano-6-[4-[oxo-[(phenylmethyl)sulfonylamino]methyl]-1-piperidinyl]-2-(phenylmethoxymethyl)-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[4-(benzylsulfonylcarbamoyl)piperidin-1-yl]-5-cyano-2-(phenylmethoxymethyl)pyridine-3-carboxylate Traditional Name: 2-(benzoxymethyl)-6-[4-(benzylsulfonylcarbamoyl)piperidino]-5-cyano-nicotinic acid ethyl ester Formula: C30H32N4O6S MolecularWeight: 576.66328

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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)COCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)N2CCC(CC2)C(=O)NS(=O)(=O)CC3=CC=CC=C3)COCC4=CC=CC=C4

InChI

InChI=1S/C30H32N4O6S/c1-2-40-30(36)26-17-25(18-31)28(32-27(26)20-39-19-22-9-5-3-6-10-22)34-15-13-24(14-16-34)29(35)33-41(37,38)21-23-11-7-4-8-12-23/h3-12,17,24H,2,13-16,19-21H2,1H3,(H,33,35)