2-[(3-Methylbenzoyl)amino]-4-(methylsulfonyl)butanoic acid

CAS Registry Number®

1025058-90-5
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CAS Name

2-[(3-Methylbenzoyl)amino]-4-(methylsulfonyl)butanoic acid

Molecular Formula

C13H17NO5S

Molecular Mass

299.34

Cite this Page

2-[(3-Methylbenzoyl)amino]-4-(methylsulfonyl)butanoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1025058-90-5 (retrieved 2024-08-19) (CAS RN: 1025058-90-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C13H17NO5S/c1-9-4-3-5-10(8-9)12(15)14-11(13(16)17)6-7-20(2,18)19/h3-5,8,11H,6-7H2,1-2H3,(H,14,15)(H,16,17)

InChIKey

InChIKey=BNZMWIGCXULVPF-UHFFFAOYSA-N

SMILES

C(NC(CCS(C)(=O)=O)C(O)=O)(=O)C1=CC(C)=CC=C1

Canonical SMILES

O=C(O)C(NC(=O)C1=CC=CC(=C1)C)CCS(=O)(=O)C

Other Names for this Substance

  • Butanoic acid, 2-[(3-methylbenzoyl)amino]-4-(methylsulfonyl)-
  • 2-[(3-Methylbenzoyl)amino]-4-(methylsulfonyl)butanoic acid