4-[(6,7-dimethoxyquinazolin-4-yl)amino]-N-phenyl-benzenesulfonamide hydrochloride

Systemtic Name: 4-[(6,7-dimethoxyquinazolin-4-yl)amino]-N-phenyl-benzenesulfonamide hydrochloride Openeye Name: 4-[(6,7-dimethoxyquinazolin-4-yl)amino]-N-phenyl-benzenesulfonamide hydrochloride CAS Name: 4-[(6,7-dimethoxy-4-quinazolinyl)amino]-N-phenylbenzenesulfonamide hydrochloride IUPAC Name: 4-[(6,7-dimethoxyquinazolin-4-yl)amino]-N-phenylbenzenesulfonamide hydrochloride Traditional Name: 4-[(6,7-dimethoxyquinazolin-4-yl)amino]-N-phenyl-benzenesulfonamide hydrochloride Formula: C22H21ClN4O4S MolecularWeight: 472.94454

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=C(C=C3)S(=O)(=O)NC4=CC=CC=C4)OC.Cl

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=C(C=C3)S(=O)(=O)NC4=CC=CC=C4)OC.Cl

InChI

InChI=1S/C22H20N4O4S.ClH/c1-29-20-12-18-19(13-21(20)30-2)23-14-24-22(18)25-15-8-10-17(11-9-15)31(27,28)26-16-6-4-3-5-7-16;/h3-14,26H,1-2H3,(H,23,24,25);1H