[1-[2-fluoranyl-4-(2-methylsulfonylphenyl)phenyl]-2-oxidanylidene-piperidin-3-yl] 2-chloranylpyridine-3-carboxylate

Systemtic Name: [1-[2-fluoranyl-4-(2-methylsulfonylphenyl)phenyl]-2-oxidanylidene-piperidin-3-yl] 2-chloranylpyridine-3-carboxylate Openeye Name: [1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxo-3-piperidyl] 2-chloropyridine-3-carboxylate CAS Name: 2-chloro-3-pyridinecarboxylic acid [1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxo-3-piperidinyl] ester IUPAC Name: [1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl] 2-chloropyridine-3-carboxylate Traditional Name: 2-chloronicotinic acid [1-[2-fluoro-4-(2-mesylphenyl)phenyl]-2-keto-3-piperidyl] ester Formula: C24H20ClFN2O5S MolecularWeight: 502.942403

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1C2=CC(=C(C=C2)N3CCCC(C3=O)OC(=O)C4=C(N=CC=C4)Cl)F

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1C2=CC(=C(C=C2)N3CCCC(C3=O)OC(=O)C4=C(N=CC=C4)Cl)F

InChI

InChI=1S/C24H20ClFN2O5S/c1-34(31,32)21-9-3-2-6-16(21)15-10-11-19(18(26)14-15)28-13-5-8-20(23(28)29)33-24(30)17-7-4-12-27-22(17)25/h2-4,6-7,9-12,14,20H,5,8,13H2,1H3