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3-[(4-bromophenyl)sulfamoyl]-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide
SpectraBase Compound ID CXNk87uD066
InChI InChI=1S/C23H20BrN3O3S2/c1-14-5-10-19-20(13-25)23(31-21(19)11-14)26-22(28)15-3-2-4-18(12-15)32(29,30)27-17-8-6-16(24)7-9-17/h2-4,6-9,12,14,27H,5,10-11H2,1H3,(H,26,28)
InChIKey WPXIHYNIIXIHRQ-UHFFFAOYSA-N
Mol Weight 530.46 g/mol
Molecular Formula C23H20BrN3O3S2
Exact Mass 529.012947 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BaP37y5CYTN
Name 3-[(4-bromophenyl)sulfamoyl]-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide
Alternate Name(s) 3-[(4-bromophenyl)sulfamoyl]-N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)benzamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H20BrN3O3S2
InChI InChI=1S/C23H20BrN3O3S2/c1-14-5-10-19-20(13-25)23(31-21(19)11-14)26-22(28)15-3-2-4-18(12-15)32(29,30)27-17-8-6-16(24)7-9-17/h2-4,6-9,12,14,27H,5,10-11H2,1H3,(H,26,28)
InChIKey WPXIHYNIIXIHRQ-UHFFFAOYSA-N
Molecular Weight 530.455 g/mol
SMILES N(c1c(c2CCC(Cc2s1)C)C#N)C(c1cc(S(Nc2ccc(cc2)Br)(=O)=O)ccc1)=O
SPLASH splash10-0fdx-2925000000-c188c2680ddb040f5e53
Wiley ID 1442159