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2-Cyano-N-(4-{[(3,4-dimethylisoxazol-5-yl)amino]sulfonyl}phenyl)-3-(4-chlorophenyl)acrylamide
SpectraBase Compound ID 3Psp185LDOt
InChI InChI=1S/C21H17ClN4O4S/c1-13-14(2)25-30-21(13)26-31(28,29)19-9-7-18(8-10-19)24-20(27)16(12-23)11-15-3-5-17(22)6-4-15/h3-11,26H,1-2H3,(H,24,27)/b16-11+
InChIKey JQXATZBDBRDFTM-LFIBNONCSA-N
Mol Weight 456.9 g/mol
Molecular Formula C21H17ClN4O4S
Exact Mass 456.065904 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BkzjQTYMTRl
Name 2-Cyano-N-(4-{[(3,4-dimethylisoxazol-5-yl)amino]sulfonyl}phenyl)-3-(4-chlorophenyl)acrylamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H17ClN4O4S
InChI InChI=1S/C21H17ClN4O4S/c1-13-14(2)25-30-21(13)26-31(28,29)19-9-7-18(8-10-19)24-20(27)16(12-23)11-15-3-5-17(22)6-4-15/h3-11,26H,1-2H3,(H,24,27)/b16-11+
InChIKey JQXATZBDBRDFTM-LFIBNONCSA-N
Molecular Weight 456.904 g/mol
SMILES N(c1c(c(C)no1)C)S(c1ccc(NC(\C(=C\c2ccc(cc2)Cl)C#N)=O)cc1)(=O)=O
SPLASH splash10-00di-0900000000-84fca4e474ef73762b00
Source of Spectrum EMC-84-500-5c
Synonyms (E)-3-(4-chlorophenyl)-2-cyano-N-(4-(N-(3,4-dimethylisoxazol-5-yl)sulfamoyl)phenyl)acrylamide
Wiley ID 1740173