3-[[3-[(2,5-dimethylphenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoic acid

Systemtic Name: 3-[[3-[(2,5-dimethylphenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoic acid Openeye Name: 3-[[3-[(2,5-dimethylphenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoic acid CAS Name: 3-[[3-[(2,5-dimethylphenyl)sulfonylamino]-2-quinoxalinyl]amino]benzoic acid IUPAC Name: 3-[[3-[(2,5-dimethylphenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoic acid Traditional Name: 3-[[3-[(2,5-dimethylphenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoic acid Formula: C23H20N4O4S MolecularWeight: 448.4943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NC4=CC=CC(=C4)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NC4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C23H20N4O4S/c1-14-10-11-15(2)20(12-14)32(30,31)27-22-21(25-18-8-3-4-9-19(18)26-22)24-17-7-5-6-16(13-17)23(28)29/h3-13H,1-2H3,(H,24,25)(H,26,27)(H,28,29)