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

Systemtic Name: 2-[[4-bromanyl-3-[(4-carboxyphenyl)sulfamoyl]phenyl]carbonylamino]benzoic acid Openeye Name: 2-[[4-bromo-3-[(4-carboxyphenyl)sulfamoyl]benzoyl]amino]benzoic acid CAS Name: 2-[[[4-bromo-3-[(4-carboxyphenyl)sulfamoyl]phenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 2-[[4-bromo-3-[(4-carboxyphenyl)sulfamoyl]benzoyl]amino]benzoic acid Traditional Name: 2-[[4-bromo-3-[(4-carboxyphenyl)sulfamoyl]benzoyl]amino]benzoic acid Formula: C21H15BrN2O7S MolecularWeight: 519.322

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)NC(=O)C2=CC(=C(C=C2)Br)S(=O)(=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)NC(=O)C2=CC(=C(C=C2)Br)S(=O)(=O)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C21H15BrN2O7S/c22-16-10-7-13(19(25)23-17-4-2-1-3-15(17)21(28)29)11-18(16)32(30,31)24-14-8-5-12(6-9-14)20(26)27/h1-11,24H,(H,23,25)(H,26,27)(H,28,29)