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N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(diethylsulfamoyl)benzamide
SpectraBase Compound ID GQp7M1wXZ9p
InChI InChI=1S/C21H25N3O3S2/c1-4-24(5-2)29(26,27)16-8-6-7-15(12-16)20(25)23-21-18(13-22)17-10-9-14(3)11-19(17)28-21/h6-8,12,14H,4-5,9-11H2,1-3H3,(H,23,25)
InChIKey NIGSCYQOJGKMFB-UHFFFAOYSA-N
Mol Weight 431.57 g/mol
Molecular Formula C21H25N3O3S2
Exact Mass 431.133734 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9RuW5x2W3nN
Name N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(diethylsulfamoyl)benzamide
Alternate Name(s) N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-(diethylsulfamoyl)benzamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H25N3O3S2
InChI InChI=1S/C21H25N3O3S2/c1-4-24(5-2)29(26,27)16-8-6-7-15(12-16)20(25)23-21-18(13-22)17-10-9-14(3)11-19(17)28-21/h6-8,12,14H,4-5,9-11H2,1-3H3,(H,23,25)
InChIKey NIGSCYQOJGKMFB-UHFFFAOYSA-N
Molecular Weight 431.569 g/mol
SMILES N(c1c(c2CCC(Cc2s1)C)C#N)C(c1cc(S(N(CC)CC)(=O)=O)ccc1)=O
SPLASH splash10-0006-3890000000-c783644a300d8d4218c7
Wiley ID 1442150