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1-{[3-(butan-2-yl)-4-ethoxybenzene]sulfonyl}-4-(4-fluorophenyl)piperazine
SpectraBase Compound ID 9AMtACrjuAT
InChI InChI=1S/C22H29FN2O3S/c1-4-17(3)21-16-20(10-11-22(21)28-5-2)29(26,27)25-14-12-24(13-15-25)19-8-6-18(23)7-9-19/h6-11,16-17H,4-5,12-15H2,1-3H3
InChIKey ALSKJYRUMFPFCO-UHFFFAOYSA-N
Mol Weight 420.54 g/mol
Molecular Formula C22H29FN2O3S
Exact Mass 420.188292 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AzTRARcMJQO
Name 1-{[3-(butan-2-yl)-4-ethoxybenzene]sulfonyl}-4-(4-fluorophenyl)piperazine
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Formula C22H29FN2O3S
InChI InChI=1S/C22H29FN2O3S/c1-4-17(3)21-16-20(10-11-22(21)28-5-2)29(26,27)25-14-12-24(13-15-25)19-8-6-18(23)7-9-19/h6-11,16-17H,4-5,12-15H2,1-3H3
InChIKey ALSKJYRUMFPFCO-UHFFFAOYSA-N
Molecular Weight 420.543 g/mol
SMILES CCOc1ccc(S(N2CCN(CC2)c2ccc(cc2)F)(=O)=O)cc1C(CC)C
SPLASH splash10-056r-5900000000-04f54af15df008fe117a
Source of Spectrum IY-2-5161-6
Synonyms Piperazine, 1-[[4-ethoxy-3-(1-methylpropyl)phenyl]sulfonyl]-4-(4-fluorophenyl)- 1-(3-butan-2-yl-4-ethoxyphenyl)sulfonyl-4-(4-fluorophenyl)piperazine 1-(3-butan-2-yl-4-ethoxy-phenyl)sulfonyl-4-(4-fluorophenyl)piperazine
Wiley ID 1659599