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

Systemtic Name: 2-[[3-[(4-bromanyl-2-ethyl-phenyl)sulfamoyl]phenyl]carbonylamino]benzoic acid Openeye Name: 2-[[3-[(4-bromo-2-ethyl-phenyl)sulfamoyl]benzoyl]amino]benzoic acid CAS Name: 2-[[[3-[(4-bromo-2-ethylphenyl)sulfamoyl]phenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 2-[[3-[(4-bromo-2-ethylphenyl)sulfamoyl]benzoyl]amino]benzoic acid Traditional Name: 2-[[3-[(4-bromo-2-ethyl-phenyl)sulfamoyl]benzoyl]amino]benzoic acid Formula: C22H19BrN2O5S MolecularWeight: 503.36566

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)Br)NS(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC=CC=C3C(=O)O

Isomeric SMILES

CCC1=C(C=CC(=C1)Br)NS(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C22H19BrN2O5S/c1-2-14-12-16(23)10-11-19(14)25-31(29,30)17-7-5-6-15(13-17)21(26)24-20-9-4-3-8-18(20)22(27)28/h3-13,25H,2H2,1H3,(H,24,26)(H,27,28)