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

Systemtic Name: ethyl 5-cyano-2-methyl-6-[4-[(phenylmethyl)sulfonylcarbamoylamino]piperidin-1-yl]pyridine-3-carboxylate Openeye Name: ethyl 6-[4-(benzylsulfonylcarbamoylamino)-1-piperidyl]-5-cyano-2-methyl-pyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-6-[4-[[oxo-[(phenylmethyl)sulfonylamino]methyl]amino]-1-piperidinyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[4-(benzylsulfonylcarbamoylamino)piperidin-1-yl]-5-cyano-2-methylpyridine-3-carboxylate Traditional Name: 6-[4-(benzylsulfonylcarbamoylamino)piperidino]-5-cyano-2-methyl-nicotinic acid ethyl ester Formula: C23H27N5O5S MolecularWeight: 485.55598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N5O5S/c1-3-33-22(29)20-13-18(14-24)21(25-16(20)2)28-11-9-19(10-12-28)26-23(30)27-34(31,32)15-17-7-5-4-6-8-17/h4-8,13,19H,3,9-12,15H2,1-2H3,(H2,26,27,30)