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2-Methyl-5-[4-[4-(trifluoromethoxy)anilino]-1-phthalazinyl]benzenesulfonamide
SpectraBase Compound ID 7WMYkCfklpt
InChI InChI=1S/C22H17F3N4O3S/c1-13-6-7-14(12-19(13)33(26,30)31)20-17-4-2-3-5-18(17)21(29-28-20)27-15-8-10-16(11-9-15)32-22(23,24)25/h2-12H,1H3,(H,27,29)(H2,26,30,31)
InChIKey PFBDPTBGEWVXBZ-UHFFFAOYSA-N
Mol Weight 474.46 g/mol
Molecular Formula C22H17F3N4O3S
Exact Mass 474.097346 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 23VMNIkA8O
Name 2-Methyl-5-[4-[4-(trifluoromethoxy)anilino]-1-phthalazinyl]benzenesulfonamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H17F3N4O3S
InChI InChI=1S/C22H17F3N4O3S/c1-13-6-7-14(12-19(13)33(26,30)31)20-17-4-2-3-5-18(17)21(29-28-20)27-15-8-10-16(11-9-15)32-22(23,24)25/h2-12H,1H3,(H,27,29)(H2,26,30,31)
InChIKey PFBDPTBGEWVXBZ-UHFFFAOYSA-N
Molecular Weight 474.458 g/mol
SMILES N(c1nnc(-c2cc(S(=O)(=O)N)c(cc2)C)c2c1cccc2)c1ccc(OC(F)(F)F)cc1
SPLASH splash10-00di-8842900000-f2f6b05913b1fc98d610
Synonyms 2-Methyl-5-[4-[4-(trifluoromethoxy)anilino]phthalazin-1-yl]benzenesulfonamide 2-Methyl-5-[4-[[4-(trifluoromethyloxy)phenyl]amino]phthalazin-1-yl]benzenesulfonamide
Wiley ID 1462758