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

Systemtic Name: 2-[[4-bromanyl-3-[(4-methylphenyl)sulfamoyl]phenyl]carbonylamino]benzoic acid Openeye Name: 2-[[4-bromo-3-(p-tolylsulfamoyl)benzoyl]amino]benzoic acid CAS Name: 2-[[[4-bromo-3-[(4-methylphenyl)sulfamoyl]phenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 2-[[4-bromo-3-[(4-methylphenyl)sulfamoyl]benzoyl]amino]benzoic acid Traditional Name: 2-[[4-bromo-3-(p-tolylsulfamoyl)benzoyl]amino]benzoic acid Formula: C21H17BrN2O5S MolecularWeight: 489.33908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC=CC=C3C(=O)O)Br

Isomeric SMILES

CC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC=CC=C3C(=O)O)Br

InChI

InChI=1S/C21H17BrN2O5S/c1-13-6-9-15(10-7-13)24-30(28,29)19-12-14(8-11-17(19)22)20(25)23-18-5-3-2-4-16(18)21(26)27/h2-12,24H,1H3,(H,23,25)(H,26,27)