1-[4-(Methylsulfonyl)-2-nitrophenyl]-4-piperidinecarboxylic acid

CAS Registry Number®

942474-70-6
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CAS Name

1-[4-(Methylsulfonyl)-2-nitrophenyl]-4-piperidinecarboxylic acid

Molecular Formula

C13H16N2O6S

Molecular Mass

328.34

Cite this Page

1-[4-(Methylsulfonyl)-2-nitrophenyl]-4-piperidinecarboxylic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=942474-70-6 (retrieved 2024-07-06) (CAS RN: 942474-70-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C13H16N2O6S/c1-22(20,21)10-2-3-11(12(8-10)15(18)19)14-6-4-9(5-7-14)13(16)17/h2-3,8-9H,4-7H2,1H3,(H,16,17)

InChIKey

InChIKey=JBCMVXATWYBDHW-UHFFFAOYSA-N

SMILES

N(=O)(=O)C1=C(C=CC(S(C)(=O)=O)=C1)N2CCC(C(O)=O)CC2

Canonical SMILES

O=C(O)C1CCN(C2=CC=C(C=C2N(=O)=O)S(=O)(=O)C)CC1

Other Names for this Substance

  • 4-Piperidinecarboxylic acid, 1-[4-(methylsulfonyl)-2-nitrophenyl]-
  • 1-[4-(Methylsulfonyl)-2-nitrophenyl]-4-piperidinecarboxylic acid