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

Systemtic Name: 4-[[3-[(4-methylphenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoic acid Openeye Name: 4-[[3-(p-tolylsulfonylamino)quinoxalin-2-yl]amino]benzoic acid CAS Name: 4-[[3-[(4-methylphenyl)sulfonylamino]-2-quinoxalinyl]amino]benzoic acid IUPAC Name: 4-[[3-[(4-methylphenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoic acid Traditional Name: 4-[[3-(tosylamino)quinoxalin-2-yl]amino]benzoic acid Formula: C22H18N4O4S MolecularWeight: 434.46772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18N4O4S/c1-14-6-12-17(13-7-14)31(29,30)26-21-20(24-18-4-2-3-5-19(18)25-21)23-16-10-8-15(9-11-16)22(27)28/h2-13H,1H3,(H,23,24)(H,25,26)(H,27,28)