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2-Cyano-N-(4-{[(3,4-dimethylisoxazol-5-yl)amino]sulfonyl}phenyl)-3-(4-methoxylphenyl)-acrylamide
SpectraBase Compound ID 1PKysmOHHMe
InChI InChI=1S/C22H20N4O5S/c1-14-15(2)25-31-22(14)26-32(28,29)20-10-6-18(7-11-20)24-21(27)17(13-23)12-16-4-8-19(30-3)9-5-16/h4-12,26H,1-3H3,(H,24,27)/b17-12+
InChIKey OBNPDFXLJDRYHT-SFQUDFHCSA-N
Mol Weight 452.49 g/mol
Molecular Formula C22H20N4O5S
Exact Mass 452.115441 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IBSDWFr3Lml
Name 2-Cyano-N-(4-{[(3,4-dimethylisoxazol-5-yl)amino]sulfonyl}phenyl)-3-(4-methoxylphenyl)-acrylamide
Alternate Name(s) (E)-2-cyano-N-(4-(N-(3,4-dimethylisoxazol-5-yl)sulfamoyl)phenyl)-3-(4-methoxyphenyl)acrylamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H20N4O5S
InChI InChI=1S/C22H20N4O5S/c1-14-15(2)25-31-22(14)26-32(28,29)20-10-6-18(7-11-20)24-21(27)17(13-23)12-16-4-8-19(30-3)9-5-16/h4-12,26H,1-3H3,(H,24,27)/b17-12+
InChIKey OBNPDFXLJDRYHT-SFQUDFHCSA-N
Molecular Weight 452.485 g/mol
SMILES N(c1c(c(C)no1)C)S(c1ccc(NC(\C(=C\c2ccc(cc2)OC)C#N)=O)cc1)(=O)=O
SPLASH splash10-001r-9600000000-8f19db249ce347c9e471
Source of Spectrum EMC-84-500-5b
Wiley ID 1740174