2-bromanyl-5-[[2-[(phenylmethyl)carbamoyl]phenyl]sulfamoyl]benzoic acid

Systemtic Name: 2-bromanyl-5-[[2-[(phenylmethyl)carbamoyl]phenyl]sulfamoyl]benzoic acid Openeye Name: 5-[[2-(benzylcarbamoyl)phenyl]sulfamoyl]-2-bromo-benzoic acid CAS Name: 2-bromo-5-[[2-[oxo-[(phenylmethyl)amino]methyl]phenyl]sulfamoyl]benzoic acid IUPAC Name: 5-[[2-(benzylcarbamoyl)phenyl]sulfamoyl]-2-bromobenzoic acid Traditional Name: 5-[[2-(benzylcarbamoyl)phenyl]sulfamoyl]-2-bromo-benzoic acid Formula: C21H17BrN2O5S MolecularWeight: 489.33908

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC(=C(C=C3)Br)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC(=C(C=C3)Br)C(=O)O

InChI

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