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CAS 111047-54-2

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Methyl (αS)-α-[[(4-methylphenyl)sulfonyl]amino]benzeneacetate

Description:
Methyl (αS)-α-[[(4-methylphenyl)sulfonyl]amino]benzeneacetate, with the CAS number 111047-54-2, is a chemical compound characterized by its specific structural features, including a methyl ester group and a sulfonamide functional group. This compound typically exhibits properties associated with both aromatic and aliphatic systems, which may influence its solubility and reactivity. The presence of the sulfonyl group suggests potential applications in medicinal chemistry, particularly in the development of pharmaceuticals, due to its ability to interact with biological targets. Additionally, the compound's chirality, indicated by the (αS) designation, implies that it may exhibit stereospecific behavior in biological systems. Its molecular interactions can be influenced by the aromatic substituents, which may enhance its lipophilicity and affect its pharmacokinetic properties. Overall, this compound's unique combination of functional groups and stereochemistry makes it a subject of interest in various chemical and biological research fields.
Formula:C16H17NO4S
InChI:InChI=1S/C16H17NO4S/c1-12-8-10-14(11-9-12)22(19,20)17-15(16(18)21-2)13-6-4-3-5-7-13/h3-11,15,17H,1-2H3/t15-/m0/s1
InChI key:InChIKey=RUYIDMOVZKCDIJ-HNNXBMFYSA-N
SMILES:[C@@H](NS(=O)(=O)C1=CC=C(C)C=C1)(C(OC)=O)C2=CC=CC=C2
Synonyms:
  • (S)-Methyl 2-(4-methylphenylsulfonamido)-2-phenylacetate
  • (S)-Phenyl-(toluene-4-sulfonylamino)-acetic acid methyl ester
  • Benzeneacetic acid, α-[[(4-methylphenyl)sulfonyl]amino]-, methyl ester, (S)-
  • Benzeneacetic acid, α-[[(4-methylphenyl)sulfonyl]amino]-, methyl ester, (αS)-
  • Methyl (αS)-α-[[(4-methylphenyl)sulfonyl]amino]benzeneacetate
  • methyl (2S)-{[(4-methylphenyl)sulfonyl]amino}(phenyl)ethanoate
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