ethyl 5-cyano-6-[4-[(2-fluoranyl-5-methyl-phenyl)methylsulfonylcarbamoyl]piperidin-1-yl]-2-methyl-pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-6-[4-[(2-fluoranyl-5-methyl-phenyl)methylsulfonylcarbamoyl]piperidin-1-yl]-2-methyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-[4-[(2-fluoro-5-methyl-phenyl)methylsulfonylcarbamoyl]-1-piperidyl]-2-methyl-pyridine-3-carboxylate CAS Name: 5-cyano-6-[4-[[(2-fluoro-5-methylphenyl)methylsulfonylamino]-oxomethyl]-1-piperidinyl]-2-methyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-[4-[(2-fluoro-5-methylphenyl)methylsulfonylcarbamoyl]piperidin-1-yl]-2-methylpyridine-3-carboxylate Traditional Name: 5-cyano-6-[4-[(2-fluoro-5-methyl-benzyl)sulfonylcarbamoyl]piperidino]-2-methyl-nicotinic acid ethyl ester Formula: C24H27FN4O5S MolecularWeight: 502.558383

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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=C(C=CC(=C3)C)F)C

Isomeric SMILES

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

InChI

InChI=1S/C24H27FN4O5S/c1-4-34-24(31)20-12-18(13-26)22(27-16(20)3)29-9-7-17(8-10-29)23(30)28-35(32,33)14-19-11-15(2)5-6-21(19)25/h5-6,11-12,17H,4,7-10,14H2,1-3H3,(H,28,30)