N-[(3E)-5-tert-butyl-2-methyl-4-oxidanylidene-3-[4-oxidanylidene-6-(trifluoromethylsulfonyl)-1H-quinazolin-2-ylidene]cyclohexa-1,5-dien-1-yl]methanesulfonamide

Systemtic Name: N-[(3E)-5-tert-butyl-2-methyl-4-oxidanylidene-3-[4-oxidanylidene-6-(trifluoromethylsulfonyl)-1H-quinazolin-2-ylidene]cyclohexa-1,5-dien-1-yl]methanesulfonamide Openeye Name: N-[(3E)-5-tert-butyl-2-methyl-4-oxo-3-[4-oxo-6-(trifluoromethylsulfonyl)-1H-quinazolin-2-ylidene]cyclohexa-1,5-dien-1-yl]methanesulfonamide CAS Name: N-[(3E)-5-tert-butyl-2-methyl-4-oxo-3-[4-oxo-6-(trifluoromethylsulfonyl)-1H-quinazolin-2-ylidene]-1-cyclohexa-1,5-dienyl]methanesulfonamide IUPAC Name: N-[(3E)-5-tert-butyl-2-methyl-4-oxo-3-[4-oxo-6-(trifluoromethylsulfonyl)-1H-quinazolin-2-ylidene]cyclohexa-1,5-dien-1-yl]methanesulfonamide Traditional Name: N-[(3E)-5-tert-butyl-4-keto-3-(4-keto-6-triflyl-1H-quinazolin-2-ylidene)-2-methyl-cyclohexa-1,5-dien-1-yl]methanesulfonamide Formula: C21H22F3N3O6S2 MolecularWeight: 533.54109

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=O)C1=C2NC3=C(C=C(C=C3)S(=O)(=O)C(F)(F)F)C(=O)N2)C(C)(C)C)NS(=O)(=O)C

Isomeric SMILES

CC\1=C(C=C(C(=O)/C1=C/2\NC3=C(C=C(C=C3)S(=O)(=O)C(F)(F)F)C(=O)N2)C(C)(C)C)NS(=O)(=O)C

InChI

InChI=1S/C21H22F3N3O6S2/c1-10-15(27-34(5,30)31)9-13(20(2,3)4)17(28)16(10)18-25-14-7-6-11(8-12(14)19(29)26-18)35(32,33)21(22,23)24/h6-9,25,27H,1-5H3,(H,26,29)/b18-16+