4-[[3-[(5-bromanyl-2-ethoxy-phenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoic acid

Systemtic Name: 4-[[3-[(5-bromanyl-2-ethoxy-phenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoic acid Openeye Name: 4-[[3-[(5-bromo-2-ethoxy-phenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoic acid CAS Name: 4-[[3-[(5-bromo-2-ethoxyphenyl)sulfonylamino]-2-quinoxalinyl]amino]benzoic acid IUPAC Name: 4-[[3-[(5-bromo-2-ethoxyphenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoic acid Traditional Name: 4-[[3-[(5-bromo-2-ethoxy-phenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoic acid Formula: C23H19BrN4O5S MolecularWeight: 543.38976

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C23H19BrN4O5S/c1-2-33-19-12-9-15(24)13-20(19)34(31,32)28-22-21(26-17-5-3-4-6-18(17)27-22)25-16-10-7-14(8-11-16)23(29)30/h3-13H,2H2,1H3,(H,25,26)(H,27,28)(H,29,30)