4-[(5-Chloro-2-methylphenyl)(methylsulfonyl)amino]butanoic acid

CAS Registry Number®

1858249-90-7

CAS Name

4-[(5-Chloro-2-methylphenyl)(methylsulfonyl)amino]butanoic acid

Molecular Formula

C12H16ClNO4S

Molecular Mass

305.78

Cite this Page

4-[(5-Chloro-2-methylphenyl)(methylsulfonyl)amino]butanoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1858249-90-7 (retrieved 2024-11-25) (CAS RN: 1858249-90-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C12H16ClNO4S/c1-9-5-6-10(13)8-11(9)14(19(2,17)18)7-3-4-12(15)16/h5-6,8H,3-4,7H2,1-2H3,(H,15,16)

InChIKey

InChIKey=KYRPJFWQTLRGJN-UHFFFAOYSA-N

SMILES

N(CCCC(O)=O)(S(C)(=O)=O)C1=C(C)C=CC(Cl)=C1

Canonical SMILES

O=C(O)CCCN(C1=CC(Cl)=CC=C1C)S(=O)(=O)C

Other Names for this Substance

  • Butanoic acid, 4-[(5-chloro-2-methylphenyl)(methylsulfonyl)amino]-
  • 4-[(5-Chloro-2-methylphenyl)(methylsulfonyl)amino]butanoic acid

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