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5-[4-(4-fluoroanilino)-1-phthalazinyl]-2-methyl-N-(2-pyridinylmethyl)benzenesulfonamide
SpectraBase Compound ID LjQAbPBfkaZ
InChI InChI=1S/C27H22FN5O2S/c1-18-9-10-19(16-25(18)36(34,35)30-17-22-6-4-5-15-29-22)26-23-7-2-3-8-24(23)27(33-32-26)31-21-13-11-20(28)12-14-21/h2-16,30H,17H2,1H3,(H,31,33)
InChIKey SUPVXGUZIKUUND-UHFFFAOYSA-N
Mol Weight 499.56 g/mol
Molecular Formula C27H22FN5O2S
Exact Mass 499.147824 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2PtezFjccSn
Name 5-[4-(4-fluoroanilino)-1-phthalazinyl]-2-methyl-N-(2-pyridinylmethyl)benzenesulfonamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H22FN5O2S
InChI InChI=1S/C27H22FN5O2S/c1-18-9-10-19(16-25(18)36(34,35)30-17-22-6-4-5-15-29-22)26-23-7-2-3-8-24(23)27(33-32-26)31-21-13-11-20(28)12-14-21/h2-16,30H,17H2,1H3,(H,31,33)
InChIKey SUPVXGUZIKUUND-UHFFFAOYSA-N
Molecular Weight 499.564 g/mol
SMILES N(S(c1cc(-c2c3c(c(nn2)Nc2ccc(cc2)F)cccc3)ccc1C)(=O)=O)Cc1ncccc1
SPLASH splash10-004i-9412000000-bb9bb0f5846c074c39dc
Synonyms 5-[4-(4-fluoroanilino)phthalazin-1-yl]-2-methyl-N-(2-pyridylmethyl)benzenesulfonamide 5-[4-(4-fluoroanilino)phthalazin-1-yl]-2-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
Wiley ID 1463225