3-[[1,3-Dioxo-3-[3-[(1-oxooctadecyl)amino]phenyl]propyl]amino]-4-methoxybenzenesulfonic acid

CAS Registry Number®

27982-29-2
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CAS Name

3-[[1,3-Dioxo-3-[3-[(1-oxooctadecyl)amino]phenyl]propyl]amino]-4-methoxybenzenesulfonic acid

Molecular Formula

C34H50N2O7S

Molecular Mass

630.84

Cite this Page

3-[[1,3-Dioxo-3-[3-[(1-oxooctadecyl)amino]phenyl]propyl]amino]-4-methoxybenzenesulfonic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=27982-29-2 (retrieved 2024-07-08) (CAS RN: 27982-29-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C34H50N2O7S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-33(38)35-28-20-18-19-27(24-28)31(37)26-34(39)36-30-25-29(44(40,41)42)22-23-32(30)43-2/h18-20,22-25H,3-17,21,26H2,1-2H3,(H,35,38)(H,36,39)(H,40,41,42)

InChIKey

InChIKey=WBRNAYOLDDFLPV-UHFFFAOYSA-N

SMILES

N(C(CC(=O)C1=CC(NC(CCCCCCCCCCCCCCCCC)=O)=CC=C1)=O)C2=C(OC)C=CC(S(=O)(=O)O)=C2

Canonical SMILES

O=C(NC1=CC(=CC=C1OC)S(=O)(=O)O)CC(=O)C=2C=CC=C(C2)NC(=O)CCCCCCCCCCCCCCCCC

Other Names for this Substance

  • Benzenesulfonic acid, 3-[[1,3-dioxo-3-[3-[(1-oxooctadecyl)amino]phenyl]propyl]amino]-4-methoxy-
  • Metanilic acid, 4-methoxy-N-[(m-octadecanamidobenzoyl)acetyl]-
  • Metanilic acid, 4-methoxy-N-[(m-stearamidobenzoyl)acetyl]-
  • 3-[[1,3-Dioxo-3-[3-[(1-oxooctadecyl)amino]phenyl]propyl]amino]-4-methoxybenzenesulfonic acid