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2-Methyl-N-(phenylmethyl)-5-[4-[4-(trifluoromethoxy)anilino]-1-phthalazinyl]benzenesulfonamide
SpectraBase Compound ID 3xO1oBNBT5D
InChI InChI=1S/C29H23F3N4O3S/c1-19-11-12-21(17-26(19)40(37,38)33-18-20-7-3-2-4-8-20)27-24-9-5-6-10-25(24)28(36-35-27)34-22-13-15-23(16-14-22)39-29(30,31)32/h2-17,33H,18H2,1H3,(H,34,36)
InChIKey AFDYUELDCPYICF-UHFFFAOYSA-N
Mol Weight 564.58 g/mol
Molecular Formula C29H23F3N4O3S
Exact Mass 564.144296 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8IaYaNUy6tK
Name 2-Methyl-N-(phenylmethyl)-5-[4-[4-(trifluoromethoxy)anilino]-1-phthalazinyl]benzenesulfonamide
Alternate Name(s) 2-Methyl-N-(phenylmethyl)-5-[4-[[4-(trifluoromethyloxy)phenyl]amino]phthalazin-1-yl]benzenesulfonamide N-benzyl-2-methyl-5-[4-[4-(trifluoromethoxy)anilino]phthalazin-1-yl]benzenesulfonamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H23F3N4O3S
InChI InChI=1S/C29H23F3N4O3S/c1-19-11-12-21(17-26(19)40(37,38)33-18-20-7-3-2-4-8-20)27-24-9-5-6-10-25(24)28(36-35-27)34-22-13-15-23(16-14-22)39-29(30,31)32/h2-17,33H,18H2,1H3,(H,34,36)
InChIKey AFDYUELDCPYICF-UHFFFAOYSA-N
Molecular Weight 564.583 g/mol
SMILES N(S(c1cc(-c2c3c(c(nn2)Nc2ccc(OC(F)(F)F)cc2)cccc3)ccc1C)(=O)=O)Cc1ccccc1
SPLASH splash10-01ox-9732030000-2db382716fd4d0313c33
Wiley ID 1462764