4-[[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]methyl]benzenesulfonamide

Systemtic Name: 4-[[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]methyl]benzenesulfonamide Openeye Name: 4-[[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]methyl]benzenesulfonamide CAS Name: 4-[[[6,7-dimethoxy-2-(trifluoromethyl)-4-quinazolinyl]amino]methyl]benzenesulfonamide IUPAC Name: 4-[[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]methyl]benzenesulfonamide Traditional Name: 4-[[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]methyl]benzenesulfonamide Formula: C18H17F3N4O4S MolecularWeight: 442.41219

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)C(F)(F)F)NCC3=CC=C(C=C3)S(=O)(=O)N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)C(F)(F)F)NCC3=CC=C(C=C3)S(=O)(=O)N)OC

InChI

InChI=1S/C18H17F3N4O4S/c1-28-14-7-12-13(8-15(14)29-2)24-17(18(19,20)21)25-16(12)23-9-10-3-5-11(6-4-10)30(22,26)27/h3-8H,9H2,1-2H3,(H2,22,26,27)(H,23,24,25)