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1-{[3-(butan-2-yl)-4-ethoxybenzene]sulfonyl}-4-(4-chlorophenyl)piperazine
SpectraBase Compound ID 19RRQhnBe0g
InChI InChI=1S/C22H29ClN2O3S/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 DGJUSSXEGHCDGU-UHFFFAOYSA-N
Mol Weight 437.0 g/mol
Molecular Formula C22H29ClN2O3S
Exact Mass 436.158742 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JOnwr7ENvGC
Name 1-{[3-(butan-2-yl)-4-ethoxybenzene]sulfonyl}-4-(4-chlorophenyl)piperazine
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Formula C22H29ClN2O3S
InChI InChI=1S/C22H29ClN2O3S/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 DGJUSSXEGHCDGU-UHFFFAOYSA-N
Molecular Weight 436.998 g/mol
SMILES CCOc1ccc(S(N2CCN(CC2)c2ccc(cc2)Cl)(=O)=O)cc1C(CC)C
SPLASH splash10-052b-5900000000-eee3876eb5240d2dcc8b
Source of Spectrum IY-2-5161-4
Synonyms Piperazine, 1-(4-chlorophenyl)-4-[[4-ethoxy-3-(1-methylpropyl)phenyl]sulfonyl]- 1-(3-butan-2-yl-4-ethoxyphenyl)sulfonyl-4-(4-chlorophenyl)piperazine 1-(3-butan-2-yl-4-ethoxy-phenyl)sulfonyl-4-(4-chlorophenyl)piperazine
Wiley ID 1659597