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

Systemtic Name: [1-[2-fluoranyl-4-(2-methylsulfonylphenyl)phenyl]-2-oxidanylidene-piperidin-3-yl] 4-methoxybenzoate Openeye Name: [1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxo-3-piperidyl] 4-methoxybenzoate CAS Name: 4-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] 4-methoxybenzoate Traditional Name: 4-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=C(C=C1)C(=O)OC2CCCN(C2=O)C3=C(C=C(C=C3)C4=CC=CC=C4S(=O)(=O)C)F

Isomeric SMILES

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

InChI

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