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

Systemtic Name: 4-chloranyl-2-[[3-[(4-methylphenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoic acid Openeye Name: 4-chloro-2-[[3-(p-tolylsulfonylamino)quinoxalin-2-yl]amino]benzoic acid CAS Name: 4-chloro-2-[[3-[(4-methylphenyl)sulfonylamino]-2-quinoxalinyl]amino]benzoic acid IUPAC Name: 4-chloro-2-[[3-[(4-methylphenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoic acid Traditional Name: 4-chloro-2-[[3-(tosylamino)quinoxalin-2-yl]amino]benzoic acid Formula: C22H17ClN4O4S MolecularWeight: 468.91278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H17ClN4O4S/c1-13-6-9-15(10-7-13)32(30,31)27-21-20(24-17-4-2-3-5-18(17)25-21)26-19-12-14(23)8-11-16(19)22(28)29/h2-12H,1H3,(H,24,26)(H,25,27)(H,28,29)