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

Systemtic Name: 4-[[[3-[(4-methylphenyl)sulfonylamino]quinoxalin-2-yl]amino]methyl]benzoic acid Openeye Name: 4-[[[3-(p-tolylsulfonylamino)quinoxalin-2-yl]amino]methyl]benzoic acid CAS Name: 4-[[[3-[(4-methylphenyl)sulfonylamino]-2-quinoxalinyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[3-[(4-methylphenyl)sulfonylamino]quinoxalin-2-yl]amino]methyl]benzoic acid Traditional Name: 4-[[[3-(tosylamino)quinoxalin-2-yl]amino]methyl]benzoic acid Formula: C23H20N4O4S MolecularWeight: 448.4943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NCC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NCC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C23H20N4O4S/c1-15-6-12-18(13-7-15)32(30,31)27-22-21(25-19-4-2-3-5-20(19)26-22)24-14-16-8-10-17(11-9-16)23(28)29/h2-13H,14H2,1H3,(H,24,25)(H,26,27)(H,28,29)