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2-Cyano-N-(4-{[(3,4-dimethylisoxazol-5-yl)amino]sulfonyl}phenyl)-3-(3-pyridyl)acrylamide
SpectraBase Compound ID CVVERE6AnPO
InChI InChI=1S/C20H17N5O4S/c1-13-14(2)24-29-20(13)25-30(27,28)18-7-5-17(6-8-18)23-19(26)16(11-21)10-15-4-3-9-22-12-15/h3-10,12,25H,1-2H3,(H,23,26)/b16-10+
InChIKey UKLXHVRNOKQVNW-MHWRWJLKSA-N
Mol Weight 423.45 g/mol
Molecular Formula C20H17N5O4S
Exact Mass 423.100125 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4UgyROYf1qD
Name 2-Cyano-N-(4-{[(3,4-dimethylisoxazol-5-yl)amino]sulfonyl}phenyl)-3-(3-pyridyl)acrylamide
Alternate Name(s) (E)-2-cyano-N-(4-(N-(3,4-dimethylisoxazol-5-yl)sulfamoyl)phenyl)-3-(pyridin-3-yl)acrylamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H17N5O4S
InChI InChI=1S/C20H17N5O4S/c1-13-14(2)24-29-20(13)25-30(27,28)18-7-5-17(6-8-18)23-19(26)16(11-21)10-15-4-3-9-22-12-15/h3-10,12,25H,1-2H3,(H,23,26)/b16-10+
InChIKey UKLXHVRNOKQVNW-MHWRWJLKSA-N
Molecular Weight 423.447 g/mol
SMILES N(c1c(c(C)no1)C)S(c1ccc(NC(\C(=C\c2cnccc2)C#N)=O)cc1)(=O)=O
SPLASH splash10-0a6r-5900000000-bc93207e38ae9670a6f9
Source of Spectrum EMC-84-501-5e
Wiley ID 1740171