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(3,4-dimethoxyphenyl)-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]methanone
SpectraBase Compound ID 3nnm3FCLsXV
InChI InChI=1S/C21H26N2O5S/c1-15-5-8-20(16(2)13-15)29(25,26)23-11-9-22(10-12-23)21(24)17-6-7-18(27-3)19(14-17)28-4/h5-8,13-14H,9-12H2,1-4H3
InChIKey PYIWKBFJRKOJHK-UHFFFAOYSA-N
Mol Weight 418.51 g/mol
Molecular Formula C21H26N2O5S
Exact Mass 418.156243 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5LhMImBWuNa
Name (3,4-dimethoxyphenyl)-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]methanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26N2O5S
InChI InChI=1S/C21H26N2O5S/c1-15-5-8-20(16(2)13-15)29(25,26)23-11-9-22(10-12-23)21(24)17-6-7-18(27-3)19(14-17)28-4/h5-8,13-14H,9-12H2,1-4H3
InChIKey PYIWKBFJRKOJHK-UHFFFAOYSA-N
Molecular Weight 418.508 g/mol
SMILES COc1c(cc(C(N2CCN(S(c3c(cc(C)cc3)C)(=O)=O)CC2)=O)cc1)OC
SPLASH splash10-014j-3940000000-f323c2f0a78cd1e86b27
Synonyms (3,4-dimethoxyphenyl)-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone (3,4-dimethoxyphenyl)-[4-(2,4-dimethylphenyl)sulfonylpiperazino]methanone
Wiley ID 1444327