N-(3,5-Dimethylphenyl)-N-(2-naphthalenylsulfonyl)-β-alanine

CAS Registry Number®

554438-64-1

CAS Name

N-(3,5-Dimethylphenyl)-N-(2-naphthalenylsulfonyl)-β-alanine

Molecular Formula

C21H21NO4S

Molecular Mass

383.46

Cite this Page

N-(3,5-Dimethylphenyl)-N-(2-naphthalenylsulfonyl)-β-alanine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=554438-64-1 (retrieved 2024-12-12) (CAS RN: 554438-64-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C21H21NO4S/c1-15-11-16(2)13-19(12-15)22(10-9-21(23)24)27(25,26)20-8-7-17-5-3-4-6-18(17)14-20/h3-8,11-14H,9-10H2,1-2H3,(H,23,24)

InChIKey

InChIKey=ZWRLBQAGQJIQOY-UHFFFAOYSA-N

SMILES

N(S(=O)(=O)C1=CC2=C(C=C1)C=CC=C2)(CCC(O)=O)C3=CC(C)=CC(C)=C3

Canonical SMILES

O=C(O)CCN(C=1C=C(C=C(C1)C)C)S(=O)(=O)C=2C=CC=3C=CC=CC3C2

Other Names for this Substance

  • β-Alanine, N-(3,5-dimethylphenyl)-N-(2-naphthalenylsulfonyl)-
  • N-(3,5-Dimethylphenyl)-N-(2-naphthalenylsulfonyl)-β-alanine

CAS INSIGHTSTM
Abstract molecules design, Atoms, Medical background