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

Systemtic Name: ethyl 2-(acetyloxymethyl)-5-cyano-6-[4-[(phenylmethyl)sulfonylcarbamoyl]piperidin-1-yl]pyridine-3-carboxylate Openeye Name: ethyl 2-(acetoxymethyl)-6-[4-(benzylsulfonylcarbamoyl)-1-piperidyl]-5-cyano-pyridine-3-carboxylate CAS Name: 2-(acetyloxymethyl)-5-cyano-6-[4-[oxo-[(phenylmethyl)sulfonylamino]methyl]-1-piperidinyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(acetyloxymethyl)-6-[4-(benzylsulfonylcarbamoyl)piperidin-1-yl]-5-cyanopyridine-3-carboxylate Traditional Name: 2-(acetoxymethyl)-6-[4-(benzylsulfonylcarbamoyl)piperidino]-5-cyano-nicotinic acid ethyl ester Formula: C25H28N4O7S MolecularWeight: 528.57742

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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)COC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C25H28N4O7S/c1-3-35-25(32)21-13-20(14-26)23(27-22(21)15-36-17(2)30)29-11-9-19(10-12-29)24(31)28-37(33,34)16-18-7-5-4-6-8-18/h4-8,13,19H,3,9-12,15-16H2,1-2H3,(H,28,31)