[2-[(4-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 5-bromanyl-2-oxidanyl-benzoate

Systemtic Name: [2-[(4-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 5-bromanyl-2-oxidanyl-benzoate Openeye Name: [2-(4-methylsulfonylanilino)-2-oxo-ethyl] 5-bromo-2-hydroxy-benzoate CAS Name: 5-bromo-2-hydroxybenzoic acid [2-(4-methylsulfonylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfonylanilino)-2-oxoethyl] 5-bromo-2-hydroxybenzoate Traditional Name: 5-bromo-2-hydroxy-benzoic acid [2-keto-2-(4-mesylanilino)ethyl] ester Formula: C16H14BrNO6S MolecularWeight: 428.25446

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)NC(=O)COC(=O)C2=C(C=CC(=C2)Br)O

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)NC(=O)COC(=O)C2=C(C=CC(=C2)Br)O

InChI

InChI=1S/C16H14BrNO6S/c1-25(22,23)12-5-3-11(4-6-12)18-15(20)9-24-16(21)13-8-10(17)2-7-14(13)19/h2-8,19H,9H2,1H3,(H,18,20)