isopropyl 4-(5-methyl-3-phenylisoxazol-4-yl)benzenesulfonate

Catalog No. :
ACBACT002
CAS No. :
3026677-40-4
Molecular Formula :
C19H19NO4S
Molecular Weight :
357.43

IUPAC Name:isopropyl 4-(5-methyl-3-phenylisoxazol-4-yl)benzenesulfonate

isopropyl 4-(5-methyl-3-phenylisoxazol-4-yl)benzenesulfonate structure diagram
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Product Information

Product Nameisopropyl 4-(5-methyl-3-phenylisoxazol-4-yl)benzenesulfonate
IUPAC Nameisopropyl 4-(5-methyl-3-phenylisoxazol-4-yl)benzenesulfonate
Molecular FormulaC19H19NO4S
Molecular Weight357.43
SMILESCC1=C(C2=CC=C(S(=O)(=O)OC(C)C)C=C2)C(C2=CC=CC=C2)=NO1
InChI KeySKKTVNNIOUMTPU-UHFFFAOYSA-N
SynonymParecoxib Impurity C;Benzenesulfonic acid, 4-(5-methyl-3-phenyl-4-isoxazolyl)-, 1-methylethyl ester;Parecoxib Sodium Impurity 50;Parecoxib lmpurity 5
CAS No.3026677-40-4

Synthetic Route by SureRoute

1. ACBACT002 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. ACKIQW295 route compound structure diagram
    --
  2. Plus
  3. ACXDHF730 route compound structure diagram
    ACXDHF730509074-26-4 In Stock
  4. Then
  5. ACBACT002 route product structure diagram
    ACBACT0023026677-40-4
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2. ACBACT002 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
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  2. Plus
  3. reactant_2 route compound structure diagram
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  4. Then
  5. ACBACT002 route product structure diagram
    ACBACT0023026677-40-4
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