ethyl 5-cyano-2-methyl-6-[4-(pyridin-3-ylmethylsulfonylcarbamoyl)piperidin-1-yl]pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-2-methyl-6-[4-(pyridin-3-ylmethylsulfonylcarbamoyl)piperidin-1-yl]pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-2-methyl-6-[4-(3-pyridylmethylsulfonylcarbamoyl)-1-piperidyl]pyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-6-[4-[oxo-(3-pyridinylmethylsulfonylamino)methyl]-1-piperidinyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-2-methyl-6-[4-(pyridin-3-ylmethylsulfonylcarbamoyl)piperidin-1-yl]pyridine-3-carboxylate Traditional Name: 5-cyano-2-methyl-6-[4-(3-pyridylmethylsulfonylcarbamoyl)piperidino]nicotinic acid ethyl ester Formula: C22H25N5O5S MolecularWeight: 471.5294

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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=CN=CC=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C22H25N5O5S/c1-3-32-22(29)19-11-18(12-23)20(25-15(19)2)27-9-6-17(7-10-27)21(28)26-33(30,31)14-16-5-4-8-24-13-16/h4-5,8,11,13,17H,3,6-7,9-10,14H2,1-2H3,(H,26,28)