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1-(1,3-Benzodioxol-5-ylmethyl)-4-[(5-methoxy-2,4-dimethylphenyl)sulfonyl]piperazine
SpectraBase Compound ID BDCwF7REDp6
InChI InChI=1S/C21H26N2O5S/c1-15-10-16(2)21(12-19(15)26-3)29(24,25)23-8-6-22(7-9-23)13-17-4-5-18-20(11-17)28-14-27-18/h4-5,10-12H,6-9,13-14H2,1-3H3
InChIKey SIZRLIJUWFFBAU-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 1T5llnNDXm8
Name 1-(1,3-Benzodioxol-5-ylmethyl)-4-[(5-methoxy-2,4-dimethylphenyl)sulfonyl]piperazine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26N2O5S
InChI InChI=1S/C21H26N2O5S/c1-15-10-16(2)21(12-19(15)26-3)29(24,25)23-8-6-22(7-9-23)13-17-4-5-18-20(11-17)28-14-27-18/h4-5,10-12H,6-9,13-14H2,1-3H3
InChIKey SIZRLIJUWFFBAU-UHFFFAOYSA-N
Molecular Weight 418.508 g/mol
SMILES COc1cc(S(N2CCN(CC2)Cc2cc3OCOc3cc2)(=O)=O)c(cc1C)C
SPLASH splash10-00kr-5940000000-7ad6a68563e465037e4d
Synonyms 1-(5-Methoxy-2,4-dimethyl-phenyl)sulfonyl-4-piperonyl-piperazine 5-{[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]sulfonyl}-2,4-dimethylphenyl methyl ether 1-(1,3-benzodioxol-5-ylmethyl)-4-(5-methoxy-2,4-dimethylphenyl)sulfonylpiperazine
Wiley ID 1445239