4-[[[7-methyl-3-[(4-methylphenyl)sulfonylamino]quinoxalin-2-yl]amino]methyl]benzoic acid

Systemtic Name: 4-[[[7-methyl-3-[(4-methylphenyl)sulfonylamino]quinoxalin-2-yl]amino]methyl]benzoic acid Openeye Name: 4-[[[7-methyl-3-(p-tolylsulfonylamino)quinoxalin-2-yl]amino]methyl]benzoic acid CAS Name: 4-[[[7-methyl-3-[(4-methylphenyl)sulfonylamino]-2-quinoxalinyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[7-methyl-3-[(4-methylphenyl)sulfonylamino]quinoxalin-2-yl]amino]methyl]benzoic acid Traditional Name: 4-[[[7-methyl-3-(tosylamino)quinoxalin-2-yl]amino]methyl]benzoic acid Formula: C24H22N4O4S MolecularWeight: 462.52088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=C(C=C(C=C3)C)N=C2NCC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=C(C=C(C=C3)C)N=C2NCC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C24H22N4O4S/c1-15-3-10-19(11-4-15)33(31,32)28-23-22(27-21-13-16(2)5-12-20(21)26-23)25-14-17-6-8-18(9-7-17)24(29)30/h3-13H,14H2,1-2H3,(H,25,27)(H,26,28)(H,29,30)