1-[2-Chloro-5-methyl-4-(methylsulfonyl)phenyl]-3-piperidinecarboxylic acid

CAS Registry Number®

942474-28-4

CAS Name

1-[2-Chloro-5-methyl-4-(methylsulfonyl)phenyl]-3-piperidinecarboxylic acid

Molecular Formula

C14H18ClNO4S

Molecular Mass

331.82

Cite this Page

1-[2-Chloro-5-methyl-4-(methylsulfonyl)phenyl]-3-piperidinecarboxylic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=942474-28-4 (retrieved 2024-10-07) (CAS RN: 942474-28-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C14H18ClNO4S/c1-9-6-12(11(15)7-13(9)21(2,19)20)16-5-3-4-10(8-16)14(17)18/h6-7,10H,3-5,8H2,1-2H3,(H,17,18)

InChIKey

InChIKey=VJWGYIYNSBTQKW-UHFFFAOYSA-N

SMILES

ClC1=C(C=C(C)C(S(C)(=O)=O)=C1)N2CC(C(O)=O)CCC2

Canonical SMILES

O=C(O)C1CN(C=2C=C(C(=CC2Cl)S(=O)(=O)C)C)CCC1

Other Names for this Substance

  • 3-Piperidinecarboxylic acid, 1-[2-chloro-5-methyl-4-(methylsulfonyl)phenyl]-
  • 1-[2-Chloro-5-methyl-4-(methylsulfonyl)phenyl]-3-piperidinecarboxylic acid

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