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N-tert-butyl-5-[4-[4-[chloro(difluoro)methoxy]anilino]phthalazin-1-yl]-2-methyl-benzenesulfonamide
SpectraBase Compound ID 7M13ISP6qvf
InChI InChI=1S/C26H25ClF2N4O3S/c1-16-9-10-17(15-22(16)37(34,35)33-25(2,3)4)23-20-7-5-6-8-21(20)24(32-31-23)30-18-11-13-19(14-12-18)36-26(27,28)29/h5-15,33H,1-4H3,(H,30,32)
InChIKey NNSLLUCBGUIWOB-UHFFFAOYSA-N
Mol Weight 547.02 g/mol
Molecular Formula C26H25ClF2N4O3S
Exact Mass 546.130396 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DbYj0y9Wvf1
Name N-tert-butyl-5-[4-[4-[chloro(difluoro)methoxy]anilino]phthalazin-1-yl]-2-methyl-benzenesulfonamide
Alternate Name(s) N-tert-butyl-5-[4-[[4-[chloranyl-bis(fluoranyl)methoxy]phenyl]amino]phthalazin-1-yl]-2-methyl-benzenesulfonamide N-tert-butyl-5-[4-[4-[chloro(difluoro)methoxy]anilino]-1-phthalazinyl]-2-methylbenzenesulfonamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H25ClF2N4O3S
InChI InChI=1S/C26H25ClF2N4O3S/c1-16-9-10-17(15-22(16)37(34,35)33-25(2,3)4)23-20-7-5-6-8-21(20)24(32-31-23)30-18-11-13-19(14-12-18)36-26(27,28)29/h5-15,33H,1-4H3,(H,30,32)
InChIKey NNSLLUCBGUIWOB-UHFFFAOYSA-N
Molecular Weight 547.021 g/mol
SMILES N(c1nnc(-c2cc(S(NC(C)(C)C)(=O)=O)c(cc2)C)c2c1cccc2)c1ccc(OC(F)(F)Cl)cc1
SPLASH splash10-052u-9320000000-04a83f9fe857542785c5
Wiley ID 1457891