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

Systemtic Name: [2-[(3-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 2-azanyl-4-fluoranyl-benzoate Openeye Name: [2-(3-methylsulfonylanilino)-2-oxo-ethyl] 2-amino-4-fluoro-benzoate CAS Name: 2-amino-4-fluorobenzoic acid [2-(3-methylsulfonylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylsulfonylanilino)-2-oxoethyl] 2-amino-4-fluorobenzoate Traditional Name: 2-amino-4-fluoro-benzoic acid [2-keto-2-(3-mesylanilino)ethyl] ester Formula: C16H15FN2O5S MolecularWeight: 366.364103

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)NC(=O)COC(=O)C2=C(C=C(C=C2)F)N

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)NC(=O)COC(=O)C2=C(C=C(C=C2)F)N

InChI

InChI=1S/C16H15FN2O5S/c1-25(22,23)12-4-2-3-11(8-12)19-15(20)9-24-16(21)13-6-5-10(17)7-14(13)18/h2-8H,9,18H2,1H3,(H,19,20)