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N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(4-morpholinylsulfonyl)benzamide
SpectraBase Compound ID O5KyTjM9uu
InChI InChI=1S/C21H23N3O4S2/c1-14-5-6-17-18(13-22)21(29-19(17)11-14)23-20(25)15-3-2-4-16(12-15)30(26,27)24-7-9-28-10-8-24/h2-4,12,14H,5-11H2,1H3,(H,23,25)
InChIKey SMWVYBIAFBLHGU-UHFFFAOYSA-N
Mol Weight 445.55 g/mol
Molecular Formula C21H23N3O4S2
Exact Mass 445.112999 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1CuNLrSpiyX
Name N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(4-morpholinylsulfonyl)benzamide
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Formula C21H23N3O4S2
InChI InChI=1S/C21H23N3O4S2/c1-14-5-6-17-18(13-22)21(29-19(17)11-14)23-20(25)15-3-2-4-16(12-15)30(26,27)24-7-9-28-10-8-24/h2-4,12,14H,5-11H2,1H3,(H,23,25)
InChIKey SMWVYBIAFBLHGU-UHFFFAOYSA-N
Molecular Weight 445.552 g/mol
SMILES N(c1c(c2CCC(Cc2s1)C)C#N)C(c1cc(S(N2CCOCC2)(=O)=O)ccc1)=O
SPLASH splash10-0udi-4790000000-69d85800bd18fe496888
Synonyms N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-morpholin-4-ylsulfonyl-benzamide N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-morpholinosulfonyl-benzamide
Wiley ID 1442152