2-Chloro-5-[(hexahydro-1H-azepin-1-yl)sulfonyl]benzoic acid

CAS Registry Number®

352668-17-8
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CAS Name

2-Chloro-5-[(hexahydro-1H-azepin-1-yl)sulfonyl]benzoic acid

Molecular Formula

C13H16ClNO4S

Molecular Mass

317.79

Cite this Page

2-Chloro-5-[(hexahydro-1H-azepin-1-yl)sulfonyl]benzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=352668-17-8 (retrieved 2024-09-09) (CAS RN: 352668-17-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C13H16ClNO4S/c14-12-6-5-10(9-11(12)13(16)17)20(18,19)15-7-3-1-2-4-8-15/h5-6,9H,1-4,7-8H2,(H,16,17)

InChIKey

InChIKey=JDMOWUFJDMRNHV-UHFFFAOYSA-N

SMILES

S(=O)(=O)(C1=CC(C(O)=O)=C(Cl)C=C1)N2CCCCCC2

Canonical SMILES

O=C(O)C1=CC(=CC=C1Cl)S(=O)(=O)N2CCCCCC2

Other Names for this Substance

  • Benzoic acid, 2-chloro-5-[(hexahydro-1H-azepin-1-yl)sulfonyl]-
  • 2-Chloro-5-[(hexahydro-1H-azepin-1-yl)sulfonyl]benzoic acid