5-bromanyl-2-[[4-[(3-oxidanylidene-2,4-dihydroquinoxalin-1-yl)sulfonyl]phenyl]carbonylamino]benzoic acid

Systemtic Name: 5-bromanyl-2-[[4-[(3-oxidanylidene-2,4-dihydroquinoxalin-1-yl)sulfonyl]phenyl]carbonylamino]benzoic acid Openeye Name: 5-bromo-2-[[4-[(3-oxo-2,4-dihydroquinoxalin-1-yl)sulfonyl]benzoyl]amino]benzoic acid CAS Name: 5-bromo-2-[[oxo-[4-[(3-oxo-2,4-dihydroquinoxalin-1-yl)sulfonyl]phenyl]methyl]amino]benzoic acid IUPAC Name: 5-bromo-2-[[4-[(3-oxo-2,4-dihydroquinoxalin-1-yl)sulfonyl]benzoyl]amino]benzoic acid Traditional Name: 5-bromo-2-[[4-[(3-keto-2,4-dihydroquinoxalin-1-yl)sulfonyl]benzoyl]amino]benzoic acid Formula: C22H16BrN3O6S MolecularWeight: 530.34794

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=CC=CC=C2N1S(=O)(=O)C3=CC=C(C=C3)C(=O)NC4=C(C=C(C=C4)Br)C(=O)O

Isomeric SMILES

C1C(=O)NC2=CC=CC=C2N1S(=O)(=O)C3=CC=C(C=C3)C(=O)NC4=C(C=C(C=C4)Br)C(=O)O

InChI

InChI=1S/C22H16BrN3O6S/c23-14-7-10-17(16(11-14)22(29)30)25-21(28)13-5-8-15(9-6-13)33(31,32)26-12-20(27)24-18-3-1-2-4-19(18)26/h1-11H,12H2,(H,24,27)(H,25,28)(H,29,30)