4-[[6,7-dimethoxy-4-[(4-sulfamoylphenyl)methylamino]quinazolin-2-yl]amino]benzoic acid

Systemtic Name: 4-[[6,7-dimethoxy-4-[(4-sulfamoylphenyl)methylamino]quinazolin-2-yl]amino]benzoic acid Openeye Name: 4-[[6,7-dimethoxy-4-[(4-sulfamoylphenyl)methylamino]quinazolin-2-yl]amino]benzoic acid CAS Name: 4-[[6,7-dimethoxy-4-[(4-sulfamoylphenyl)methylamino]-2-quinazolinyl]amino]benzoic acid IUPAC Name: 4-[[6,7-dimethoxy-4-[(4-sulfamoylphenyl)methylamino]quinazolin-2-yl]amino]benzoic acid Traditional Name: 4-[[6,7-dimethoxy-4-[(4-sulfamoylbenzyl)amino]quinazolin-2-yl]amino]benzoic acid Formula: C24H23N5O6S MolecularWeight: 509.53432

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)NC3=CC=C(C=C3)C(=O)O)NCC4=CC=C(C=C4)S(=O)(=O)N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)NC3=CC=C(C=C3)C(=O)O)NCC4=CC=C(C=C4)S(=O)(=O)N)OC

InChI

InChI=1S/C24H23N5O6S/c1-34-20-11-18-19(12-21(20)35-2)28-24(27-16-7-5-15(6-8-16)23(30)31)29-22(18)26-13-14-3-9-17(10-4-14)36(25,32)33/h3-12H,13H2,1-2H3,(H,30,31)(H2,25,32,33)(H2,26,27,28,29)