[2-[(4-methyl-3-sulfamoyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-bromanylbenzoate

Systemtic Name: [2-[(4-methyl-3-sulfamoyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-bromanylbenzoate Openeye Name: [2-(4-methyl-3-sulfamoyl-anilino)-2-oxo-ethyl] 3-bromobenzoate CAS Name: 3-bromobenzoic acid [2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl] 3-bromobenzoate Traditional Name: 3-bromobenzoic acid [2-keto-2-(4-methyl-3-sulfamoyl-anilino)ethyl] ester Formula: C16H15BrN2O5S MolecularWeight: 427.2697

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC(=CC=C2)Br)S(=O)(=O)N

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC(=CC=C2)Br)S(=O)(=O)N

InChI

InChI=1S/C16H15BrN2O5S/c1-10-5-6-13(8-14(10)25(18,22)23)19-15(20)9-24-16(21)11-3-2-4-12(17)7-11/h2-8H,9H2,1H3,(H,19,20)(H2,18,22,23)