4-[[(3-Chloro-2-methylphenyl)(phenylsulfonyl)amino]methyl]benzoic acid

CAS Registry Number®

591744-39-7
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CAS Name

4-[[(3-Chloro-2-methylphenyl)(phenylsulfonyl)amino]methyl]benzoic acid

Molecular Formula

C21H18ClNO4S

Molecular Mass

415.89

Cite this Page

4-[[(3-Chloro-2-methylphenyl)(phenylsulfonyl)amino]methyl]benzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=591744-39-7 (retrieved 2024-07-26) (CAS RN: 591744-39-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C21H18ClNO4S/c1-15-19(22)8-5-9-20(15)23(28(26,27)18-6-3-2-4-7-18)14-16-10-12-17(13-11-16)21(24)25/h2-13H,14H2,1H3,(H,24,25)

InChIKey

InChIKey=VDUXXDQAJBFISC-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=C(O)C1=CC=C(C=C1)CN(C=2C=CC=C(Cl)C2C)S(=O)(=O)C=3C=CC=CC3

Other Names for this Substance

  • Benzoic acid, 4-[[(3-chloro-2-methylphenyl)(phenylsulfonyl)amino]methyl]-
  • 4-[[(3-Chloro-2-methylphenyl)(phenylsulfonyl)amino]methyl]benzoic acid