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

Systemtic Name: 3-[[3-[(4-methylphenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoate Openeye Name: 3-[[3-(p-tolylsulfonylamino)quinoxalin-2-yl]amino]benzoate CAS Name: 3-[[3-[(4-methylphenyl)sulfonylamino]-2-quinoxalinyl]amino]benzoate IUPAC Name: 3-[[3-[(4-methylphenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoate Traditional Name: 3-[[3-(tosylamino)quinoxalin-2-yl]amino]benzoate Formula: C22H17N4O4S- MolecularWeight: 433.45978

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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=CC(=C4)C(=O)[O-]

Isomeric SMILES

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

InChI

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