4-[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]-2-(trifluoromethyl)benzenesulfonamide

Systemtic Name: 4-[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]-2-(trifluoromethyl)benzenesulfonamide Openeye Name: 4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]-2-(trifluoromethyl)benzenesulfonamide CAS Name: 4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]-2-(trifluoromethyl)benzenesulfonamide IUPAC Name: 4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]-2-(trifluoromethyl)benzenesulfonamide Traditional Name: 4-[(4-keto-2-methyl-1H-quinazolin-6-yl)methyl-propargyl-amino]-2-(trifluoromethyl)benzenesulfonamide Formula: C20H17F3N4O3S MolecularWeight: 450.43419

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C2=C(N1)C=CC(=C2)CN(CC#C)C3=CC(=C(C=C3)S(=O)(=O)N)C(F)(F)F

Isomeric SMILES

CC1=NC(=O)C2=C(N1)C=CC(=C2)CN(CC#C)C3=CC(=C(C=C3)S(=O)(=O)N)C(F)(F)F

InChI

InChI=1S/C20H17F3N4O3S/c1-3-8-27(11-13-4-6-17-15(9-13)19(28)26-12(2)25-17)14-5-7-18(31(24,29)30)16(10-14)20(21,22)23/h1,4-7,9-10H,8,11H2,2H3,(H2,24,29,30)(H,25,26,28)