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N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-benzamide
SpectraBase Compound ID JdXK7QQTbds
InChI InChI=1S/C27H27FN4O3S2/c1-18-5-10-23-24(17-29)27(36-25(23)15-18)30-26(33)19-3-2-4-22(16-19)37(34,35)32-13-11-31(12-14-32)21-8-6-20(28)7-9-21/h2-4,6-9,16,18H,5,10-15H2,1H3,(H,30,33)
InChIKey BJELQZSTIYWDIB-UHFFFAOYSA-N
Mol Weight 538.66 g/mol
Molecular Formula C27H27FN4O3S2
Exact Mass 538.150861 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8rrkgHi84tW
Name N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-benzamide
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Formula C27H27FN4O3S2
InChI InChI=1S/C27H27FN4O3S2/c1-18-5-10-23-24(17-29)27(36-25(23)15-18)30-26(33)19-3-2-4-22(16-19)37(34,35)32-13-11-31(12-14-32)21-8-6-20(28)7-9-21/h2-4,6-9,16,18H,5,10-15H2,1H3,(H,30,33)
InChIKey BJELQZSTIYWDIB-UHFFFAOYSA-N
Molecular Weight 538.656 g/mol
SMILES N(c1c(c2CCC(Cc2s1)C)C#N)C(c1cc(S(N2CCN(CC2)c2ccc(cc2)F)(=O)=O)ccc1)=O
SPLASH splash10-004i-1900000000-bbaa31b3ba8559bc2495
Synonyms N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[[4-(4-fluorophenyl)-1-piperazinyl]sulfonyl]benzamide N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-benzamide N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-[4-(4-fluorophenyl)piperazino]sulfonyl-benzamide
Wiley ID 1442156