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

CAS Registry Number®

874838-79-6
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CAS Name

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

Molecular Formula

C16H22N2O6S

Molecular Mass

370.42

Cite this Page

1-(1,1-Dimethylethyl) 4-[(3-carboxyphenyl)sulfonyl]-1-piperazinecarboxylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=874838-79-6 (retrieved 2024-09-02) (CAS RN: 874838-79-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

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)

InChIKey

InChIKey=NEONUMCAWBLQLU-UHFFFAOYSA-N

SMILES

S(=O)(=O)(C1=CC(C(O)=O)=CC=C1)N2CCN(C(OC(C)(C)C)=O)CC2

Canonical SMILES

O=C(O)C1=CC=CC(=C1)S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2

Other Names for this Substance

  • 1-Piperazinecarboxylic acid, 4-[(3-carboxyphenyl)sulfonyl]-, 1-(1,1-dimethylethyl) ester
  • 1-(1,1-Dimethylethyl) 4-[(3-carboxyphenyl)sulfonyl]-1-piperazinecarboxylate
  • 3-([4-[(tert-Butoxy)carbonyl]piperazin-1-yl]sulfonyl)benzoic acid