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

Systemtic Name: ethyl 5-cyano-2-methyl-6-[4-[(phenylmethyl)sulfonylcarbamoyl]piperazin-1-yl]pyridine-3-carboxylate Openeye Name: ethyl 6-[4-(benzylsulfonylcarbamoyl)piperazin-1-yl]-5-cyano-2-methyl-pyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-6-[4-[oxo-[(phenylmethyl)sulfonylamino]methyl]-1-piperazinyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[4-(benzylsulfonylcarbamoyl)piperazin-1-yl]-5-cyano-2-methylpyridine-3-carboxylate Traditional Name: 6-[4-(benzylsulfonylcarbamoyl)piperazino]-5-cyano-2-methyl-nicotinic acid ethyl ester Formula: C22H25N5O5S MolecularWeight: 471.5294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)N2CCN(CC2)C(=O)NS(=O)(=O)CC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)N2CCN(CC2)C(=O)NS(=O)(=O)CC3=CC=CC=C3)C

InChI

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