3-(Aminosulfonyl)-5-[(2-ethylhexyl)amino]-4-phenoxybenzoic acid

CAS Registry Number®

153012-65-8

CAS Name

3-(Aminosulfonyl)-5-[(2-ethylhexyl)amino]-4-phenoxybenzoic acid

Molecular Formula

C21H28N2O5S

Molecular Mass

420.52

Cite this Page

3-(Aminosulfonyl)-5-[(2-ethylhexyl)amino]-4-phenoxybenzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=153012-65-8 (retrieved 2024-11-24) (CAS RN: 153012-65-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C21H28N2O5S/c1-3-5-9-15(4-2)14-23-18-12-16(21(24)25)13-19(29(22,26)27)20(18)28-17-10-7-6-8-11-17/h6-8,10-13,15,23H,3-5,9,14H2,1-2H3,(H,24,25)(H2,22,26,27)

InChIKey

InChIKey=MDNHIMFOFVKGQA-UHFFFAOYSA-N

SMILES

O(C1=C(S(N)(=O)=O)C=C(C(O)=O)C=C1NCC(CCCC)CC)C2=CC=CC=C2

Canonical SMILES

O=C(O)C=1C=C(NCC(CC)CCCC)C(OC=2C=CC=CC2)=C(C1)S(=O)(=O)N

Other Names for this Substance

  • Benzoic acid, 3-(aminosulfonyl)-5-[(2-ethylhexyl)amino]-4-phenoxy-
  • 3-(Aminosulfonyl)-5-[(2-ethylhexyl)amino]-4-phenoxybenzoic acid
  • PF 2825
  • 3-((2-Ethylhexyl)amino)-4-phenoxy-5-sulfamoylbenzoic acid

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