2-[[3-[(4-fluoranyl-2-methyl-phenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoic acid

Systemtic Name: 2-[[3-[(4-fluoranyl-2-methyl-phenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoic acid Openeye Name: 2-[[3-[(4-fluoro-2-methyl-phenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoic acid CAS Name: 2-[[3-[(4-fluoro-2-methylphenyl)sulfonylamino]-2-quinoxalinyl]amino]benzoic acid IUPAC Name: 2-[[3-[(4-fluoro-2-methylphenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoic acid Traditional Name: 2-[[3-[(4-fluoro-2-methyl-phenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoic acid Formula: C22H17FN4O4S MolecularWeight: 452.458183

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)F)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NC4=CC=CC=C4C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)F)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NC4=CC=CC=C4C(=O)O

InChI

InChI=1S/C22H17FN4O4S/c1-13-12-14(23)10-11-19(13)32(30,31)27-21-20(25-17-8-4-5-9-18(17)26-21)24-16-7-3-2-6-15(16)22(28)29/h2-12H,1H3,(H,24,25)(H,26,27)(H,28,29)