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

Systemtic Name: ethyl 5-cyano-2-(ethoxymethyl)-6-[4-[(phenylmethyl)sulfonylcarbamoyl]piperidin-1-yl]pyridine-3-carboxylate Openeye Name: ethyl 6-[4-(benzylsulfonylcarbamoyl)-1-piperidyl]-5-cyano-2-(ethoxymethyl)pyridine-3-carboxylate CAS Name: 5-cyano-2-(ethoxymethyl)-6-[4-[oxo-[(phenylmethyl)sulfonylamino]methyl]-1-piperidinyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[4-(benzylsulfonylcarbamoyl)piperidin-1-yl]-5-cyano-2-(ethoxymethyl)pyridine-3-carboxylate Traditional Name: 6-[4-(benzylsulfonylcarbamoyl)piperidino]-5-cyano-2-(ethoxymethyl)nicotinic acid ethyl ester Formula: C25H30N4O6S MolecularWeight: 514.5939

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC1=C(C=C(C(=N1)N2CCC(CC2)C(=O)NS(=O)(=O)CC3=CC=CC=C3)C#N)C(=O)OCC

Isomeric SMILES

CCOCC1=C(C=C(C(=N1)N2CCC(CC2)C(=O)NS(=O)(=O)CC3=CC=CC=C3)C#N)C(=O)OCC

InChI

InChI=1S/C25H30N4O6S/c1-3-34-16-22-21(25(31)35-4-2)14-20(15-26)23(27-22)29-12-10-19(11-13-29)24(30)28-36(32,33)17-18-8-6-5-7-9-18/h5-9,14,19H,3-4,10-13,16-17H2,1-2H3,(H,28,30)