4-[[3-[(4-bromophenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoic acid

Systemtic Name: 4-[[3-[(4-bromophenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoic acid Openeye Name: 4-[[3-[(4-bromophenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoic acid CAS Name: 4-[[3-[(4-bromophenyl)sulfonylamino]-2-quinoxalinyl]amino]benzoic acid IUPAC Name: 4-[[3-[(4-bromophenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoic acid Traditional Name: 4-[[3-(brosylamino)quinoxalin-2-yl]amino]benzoic acid Formula: C21H15BrN4O4S MolecularWeight: 499.3372

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(C(=N2)NS(=O)(=O)C3=CC=C(C=C3)Br)NC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(C(=N2)NS(=O)(=O)C3=CC=C(C=C3)Br)NC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C21H15BrN4O4S/c22-14-7-11-16(12-8-14)31(29,30)26-20-19(24-17-3-1-2-4-18(17)25-20)23-15-9-5-13(6-10-15)21(27)28/h1-12H,(H,23,24)(H,25,26)(H,27,28)