2-methyl-6-[[[4-(phenylsulfonyl)-3-(trifluoromethyl)phenyl]-prop-2-ynyl-amino]methyl]-1H-quinazolin-4-one

Systemtic Name: 2-methyl-6-[[[4-(phenylsulfonyl)-3-(trifluoromethyl)phenyl]-prop-2-ynyl-amino]methyl]-1H-quinazolin-4-one Openeye Name: 6-[[4-(benzenesulfonyl)-N-prop-2-ynyl-3-(trifluoromethyl)anilino]methyl]-2-methyl-1H-quinazolin-4-one CAS Name: 6-[[4-(benzenesulfonyl)-N-prop-2-ynyl-3-(trifluoromethyl)anilino]methyl]-2-methyl-1H-quinazolin-4-one IUPAC Name: 6-[[4-(benzenesulfonyl)-N-prop-2-ynyl-3-(trifluoromethyl)anilino]methyl]-2-methyl-1H-quinazolin-4-one Traditional Name: 6-[[4-besyl-N-propargyl-3-(trifluoromethyl)anilino]methyl]-2-methyl-1H-quinazolin-4-one Formula: C26H20F3N3O3S MolecularWeight: 511.51551

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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)C4=CC=CC=C4)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)C4=CC=CC=C4)C(F)(F)F

InChI

InChI=1S/C26H20F3N3O3S/c1-3-13-32(16-18-9-11-23-21(14-18)25(33)31-17(2)30-23)19-10-12-24(22(15-19)26(27,28)29)36(34,35)20-7-5-4-6-8-20/h1,4-12,14-15H,13,16H2,2H3,(H,30,31,33)