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

Systemtic Name: 5-bromanyl-2-[[4-[(3-cyanophenyl)sulfamoyl]phenyl]carbonylamino]benzoic acid Openeye Name: 5-bromo-2-[[4-[(3-cyanophenyl)sulfamoyl]benzoyl]amino]benzoic acid CAS Name: 5-bromo-2-[[[4-[(3-cyanophenyl)sulfamoyl]phenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 5-bromo-2-[[4-[(3-cyanophenyl)sulfamoyl]benzoyl]amino]benzoic acid Traditional Name: 5-bromo-2-[[4-[(3-cyanophenyl)sulfamoyl]benzoyl]amino]benzoic acid Formula: C21H14BrN3O5S MolecularWeight: 500.32196

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=C(C=C(C=C3)Br)C(=O)O)C#N

Isomeric SMILES

C1=CC(=CC(=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=C(C=C(C=C3)Br)C(=O)O)C#N

InChI

InChI=1S/C21H14BrN3O5S/c22-15-6-9-19(18(11-15)21(27)28)24-20(26)14-4-7-17(8-5-14)31(29,30)25-16-3-1-2-13(10-16)12-23/h1-11,25H,(H,24,26)(H,27,28)