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benzenesulfonamide, 5-[4-[(4-hydroxyphenyl)amino]-1-phthalazinyl]-2-methyl-N-(2-pyridinylmethyl)-
SpectraBase Compound ID LoxXh3ZTpdc
InChI InChI=1S/C27H23N5O3S/c1-18-9-10-19(16-25(18)36(34,35)29-17-21-6-4-5-15-28-21)26-23-7-2-3-8-24(23)27(32-31-26)30-20-11-13-22(33)14-12-20/h2-16,29,33H,17H2,1H3,(H,30,32)
InChIKey CMDJWPFJQKPXRK-UHFFFAOYSA-N
Mol Weight 497.57 g/mol
Molecular Formula C27H23N5O3S
Exact Mass 497.152161 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7uicU3QBzqv
Name 5-[4-(4-hydroxy-phenylamino)-phthalazin-1-yl]-2-methyl-N-pyridin-2-ylmethyl-benzenesulfonamide
Alternate Name(s) 5-[4-(4-hydroxyanilino)-1-phthalazinyl]-2-methyl-N-(2-pyridinylmethyl)benzenesulfonamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H23N5O3S
InChI InChI=1S/C27H23N5O3S/c1-18-9-10-19(16-25(18)36(34,35)29-17-21-6-4-5-15-28-21)26-23-7-2-3-8-24(23)27(32-31-26)30-20-11-13-22(33)14-12-20/h2-16,29,33H,17H2,1H3,(H,30,32)
InChIKey CMDJWPFJQKPXRK-UHFFFAOYSA-N
Molecular Weight 497.573 g/mol
SMILES N(S(c1cc(-c2c3c(c(nn2)Nc2ccc(cc2)O)cccc3)ccc1C)(=O)=O)Cc1ncccc1
SPLASH splash10-0fb9-9201100000-64a78e59db3bc85ec58c
Wiley ID 1462769