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

Systemtic Name: [1-[2-fluoranyl-4-(2-methylsulfonylphenyl)phenyl]-2-oxidanylidene-piperidin-3-yl] 3-methoxybenzoate Openeye Name: [1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxo-3-piperidyl] 3-methoxybenzoate CAS Name: 3-methoxybenzoic 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] 3-methoxybenzoate Traditional Name: 3-methoxybenzoic acid [1-[2-fluoro-4-(2-mesylphenyl)phenyl]-2-keto-3-piperidyl] ester Formula: C26H24FNO6S MolecularWeight: 497.535263

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)OC2CCCN(C2=O)C3=C(C=C(C=C3)C4=CC=CC=C4S(=O)(=O)C)F

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)OC2CCCN(C2=O)C3=C(C=C(C=C3)C4=CC=CC=C4S(=O)(=O)C)F

InChI

InChI=1S/C26H24FNO6S/c1-33-19-8-5-7-18(15-19)26(30)34-23-10-6-14-28(25(23)29)22-13-12-17(16-21(22)27)20-9-3-4-11-24(20)35(2,31)32/h3-5,7-9,11-13,15-16,23H,6,10,14H2,1-2H3