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

Systemtic Name: (4-fluorophenyl)methyl 5-cyano-2-methyl-6-[4-[(phenylmethyl)sulfonylcarbamoyl]piperidin-1-yl]pyridine-3-carboxylate Openeye Name: (4-fluorophenyl)methyl 6-[4-(benzylsulfonylcarbamoyl)-1-piperidyl]-5-cyano-2-methyl-pyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-6-[4-[oxo-[(phenylmethyl)sulfonylamino]methyl]-1-piperidinyl]-3-pyridinecarboxylic acid (4-fluorophenyl)methyl ester IUPAC Name: (4-fluorophenyl)methyl 6-[4-(benzylsulfonylcarbamoyl)piperidin-1-yl]-5-cyano-2-methylpyridine-3-carboxylate Traditional Name: 6-[4-(benzylsulfonylcarbamoyl)piperidino]-5-cyano-2-methyl-nicotinic acid (4-fluorobenzyl) ester Formula: C28H27FN4O5S MolecularWeight: 550.601183

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=N1)N2CCC(CC2)C(=O)NS(=O)(=O)CC3=CC=CC=C3)C#N)C(=O)OCC4=CC=C(C=C4)F

Isomeric SMILES

CC1=C(C=C(C(=N1)N2CCC(CC2)C(=O)NS(=O)(=O)CC3=CC=CC=C3)C#N)C(=O)OCC4=CC=C(C=C4)F

InChI

InChI=1S/C28H27FN4O5S/c1-19-25(28(35)38-17-20-7-9-24(29)10-8-20)15-23(16-30)26(31-19)33-13-11-22(12-14-33)27(34)32-39(36,37)18-21-5-3-2-4-6-21/h2-10,15,22H,11-14,17-18H2,1H3,(H,32,34)