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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17BrN2O5S/c22-17-11-10-15(20(25)24-18-9-5-4-8-16(18)21(26)27)12-19(17)30(28,29)23-13-14-6-2-1-3-7-14/h1-12,23H,13H2,(H,24,25)(H,26,27)