2-[[4-bromanyl-3-[(4-ethanoylphenyl)sulfamoyl]phenyl]carbonylamino]benzoic acid

Systemtic Name: 2-[[4-bromanyl-3-[(4-ethanoylphenyl)sulfamoyl]phenyl]carbonylamino]benzoic acid Openeye Name: 2-[[3-[(4-acetylphenyl)sulfamoyl]-4-bromo-benzoyl]amino]benzoic acid CAS Name: 2-[[[3-[(4-acetylphenyl)sulfamoyl]-4-bromophenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 2-[[3-[(4-acetylphenyl)sulfamoyl]-4-bromobenzoyl]amino]benzoic acid Traditional Name: 2-[[3-[(4-acetylphenyl)sulfamoyl]-4-bromo-benzoyl]amino]benzoic acid Formula: C22H17BrN2O6S MolecularWeight: 517.34918

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC=CC=C3C(=O)O)Br

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC=CC=C3C(=O)O)Br

InChI

InChI=1S/C22H17BrN2O6S/c1-13(26)14-6-9-16(10-7-14)25-32(30,31)20-12-15(8-11-18(20)23)21(27)24-19-5-3-2-4-17(19)22(28)29/h2-12,25H,1H3,(H,24,27)(H,28,29)