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

Systemtic Name: ethyl 5-cyano-2-methyl-6-[4-(phenylsulfonylcarbamoyl)piperazin-1-yl]pyridine-3-carboxylate Openeye Name: ethyl 6-[4-(benzenesulfonylcarbamoyl)piperazin-1-yl]-5-cyano-2-methyl-pyridine-3-carboxylate CAS Name: 6-[4-[benzenesulfonamido(oxo)methyl]-1-piperazinyl]-5-cyano-2-methyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[4-(benzenesulfonylcarbamoyl)piperazin-1-yl]-5-cyano-2-methylpyridine-3-carboxylate Traditional Name: 6-[4-(besylcarbamoyl)piperazino]-5-cyano-2-methyl-nicotinic acid ethyl ester Formula: C21H23N5O5S MolecularWeight: 457.50282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5O5S/c1-3-31-20(27)18-13-16(14-22)19(23-15(18)2)25-9-11-26(12-10-25)21(28)24-32(29,30)17-7-5-4-6-8-17/h4-8,13H,3,9-12H2,1-2H3,(H,24,28)