4-[Methyl[(4-methylphenyl)sulfonyl]amino]butanoic acid

CAS Registry Number®

78521-44-5

CAS Name

4-[Methyl[(4-methylphenyl)sulfonyl]amino]butanoic acid

Molecular Formula

C12H17NO4S

Molecular Mass

271.33

Cite this Page

4-[Methyl[(4-methylphenyl)sulfonyl]amino]butanoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=78521-44-5 (retrieved 2024-12-02) (CAS RN: 78521-44-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    98 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C12H17NO4S/c1-10-5-7-11(8-6-10)18(16,17)13(2)9-3-4-12(14)15/h5-8H,3-4,9H2,1-2H3,(H,14,15)

InChIKey

InChIKey=RGXXTJWBVZXCPP-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Butanoic acid, 4-[methyl[(4-methylphenyl)sulfonyl]amino]-
  • Butyric acid, 4-(N-methyl-p-toluenesulfonamido)-
  • 4-[Methyl[(4-methylphenyl)sulfonyl]amino]butanoic acid

CAS INSIGHTSTM
Hourglass and a clock