[2-[(3-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 2-fluoranyl-4-methoxy-benzoate

Systemtic Name: [2-[(3-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 2-fluoranyl-4-methoxy-benzoate Openeye Name: [2-(3-methylsulfonylanilino)-2-oxo-ethyl] 2-fluoro-4-methoxy-benzoate CAS Name: 2-fluoro-4-methoxybenzoic acid [2-(3-methylsulfonylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylsulfonylanilino)-2-oxoethyl] 2-fluoro-4-methoxybenzoate Traditional Name: 2-fluoro-4-methoxy-benzoic acid [2-keto-2-(3-mesylanilino)ethyl] ester Formula: C17H16FNO6S MolecularWeight: 381.375443

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)C)F

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)C)F

InChI

InChI=1S/C17H16FNO6S/c1-24-12-6-7-14(15(18)9-12)17(21)25-10-16(20)19-11-4-3-5-13(8-11)26(2,22)23/h3-9H,10H2,1-2H3,(H,19,20)