3-[[3-[(4-bromophenyl)sulfamoyl]-4-methyl-phenyl]carbonylamino]benzoic acid

Systemtic Name: 3-[[3-[(4-bromophenyl)sulfamoyl]-4-methyl-phenyl]carbonylamino]benzoic acid Openeye Name: 3-[[3-[(4-bromophenyl)sulfamoyl]-4-methyl-benzoyl]amino]benzoic acid CAS Name: 3-[[[3-[(4-bromophenyl)sulfamoyl]-4-methylphenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[3-[(4-bromophenyl)sulfamoyl]-4-methylbenzoyl]amino]benzoic acid Traditional Name: 3-[[3-[(4-bromophenyl)sulfamoyl]-4-methyl-benzoyl]amino]benzoic acid Formula: C21H17BrN2O5S MolecularWeight: 489.33908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C(=O)O)S(=O)(=O)NC3=CC=C(C=C3)Br

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C(=O)O)S(=O)(=O)NC3=CC=C(C=C3)Br

InChI

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