rel-2-Chloro-5-[[(3R,5S)-3,5-dimethyl-1-piperidinyl]sulfonyl]benzoic acid

CAS Registry Number®

37087-94-8
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CAS Name

rel-2-Chloro-5-[[(3R,5S)-3,5-dimethyl-1-piperidinyl]sulfonyl]benzoic acid

Molecular Formula

C14H18ClNO4S

Molecular Mass

331.82

Cite this Page

rel-2-Chloro-5-[[(3R,5S)-3,5-dimethyl-1-piperidinyl]sulfonyl]benzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=37087-94-8 (retrieved 2024-04-20) (CAS RN: 37087-94-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1/C14H18ClNO4S/c1-9-5-10(2)8-16(7-9)21(19,20)11-3-4-13(15)12(6-11)14(17)18/h3-4,6,9-10H,5,7-8H2,1-2H3,(H,17,18)/t9-,10+

InChIKey

InChIKey=IFXSWTIWFGIXQO-AOOOYVTPNA-N

SMILES

S(=O)(=O)(C1=CC(C(O)=O)=C(Cl)C=C1)N2C[C@H](C)C[C@H](C)C2

Canonical SMILES

O=C(O)C1=CC(=CC=C1Cl)S(=O)(=O)N2CC(C)CC(C)C2

Other Names for this Substance

  • Benzoic acid, 2-chloro-5-[[(3R,5S)-3,5-dimethyl-1-piperidinyl]sulfonyl]-, rel-
  • Benzoic acid, 2-chloro-5-[(3,5-dimethyl-1-piperidinyl)sulfonyl]-, cis-
  • rel-2-Chloro-5-[[(3R,5S)-3,5-dimethyl-1-piperidinyl]sulfonyl]benzoic acid
  • Tibric acid
  • CP 18524

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