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CAS 874838-79-6

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1-(1,1-Dimethylethyl) 4-[(3-carboxyphenyl)sulfonyl]-1-piperazinecarboxylate

Description:
1-(1,1-Dimethylethyl) 4-[(3-carboxyphenyl)sulfonyl]-1-piperazinecarboxylate, identified by CAS number 874838-79-6, is a synthetic organic compound characterized by its complex structure, which includes a piperazine ring, a carboxylate group, and a sulfonyl moiety. This compound typically exhibits properties associated with both basic and acidic functional groups, making it potentially useful in various chemical reactions and applications. The presence of the bulky tert-butyl group (1,1-dimethylethyl) contributes to its steric hindrance, which can influence its reactivity and interaction with biological targets. The sulfonyl group enhances its solubility in polar solvents, while the carboxylic acid functionality may participate in hydrogen bonding and ionic interactions. Such characteristics suggest that this compound could be of interest in medicinal chemistry, particularly in the development of pharmaceuticals, where it may act as a scaffold for drug design or as a bioactive agent. Further studies would be necessary to fully elucidate its biological activity and potential applications.
Formula:C16H22N2O6S
InChI:InChI=1S/C16H22N2O6S/c1-16(2,3)24-15(21)17-7-9-18(10-8-17)25(22,23)13-6-4-5-12(11-13)14(19)20/h4-6,11H,7-10H2,1-3H3,(H,19,20)
InChI key:InChIKey=NEONUMCAWBLQLU-UHFFFAOYSA-N
SMILES:S(=O)(=O)(C1=CC(C(O)=O)=CC=C1)N2CCN(C(OC(C)(C)C)=O)CC2
Synonyms:
  • 1-(1,1-Dimethylethyl) 4-[(3-carboxyphenyl)sulfonyl]-1-piperazinecarboxylate
  • 1-Piperazinecarboxylic acid, 4-[(3-carboxyphenyl)sulfonyl]-, 1-(1,1-dimethylethyl) ester
  • 3-([4-[(tert-Butoxy)carbonyl]piperazin-1-yl]sulfonyl)benzoic acid
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