1,2-Benzisothiazole-2(3H)-acetamide, N-(5-methyl-3-isoxazolyl)-3-oxo-, 1,1-dioxide

CAS Registry Number®

59826-54-9
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CAS Name

1,2-Benzisothiazole-2(3H)-acetamide, N-(5-methyl-3-isoxazolyl)-3-oxo-, 1,1-dioxide

Molecular Formula

C13H11N3O5S

Molecular Mass

321.31

Cite this Page

1,2-Benzisothiazole-2(3H)-acetamide, N-(5-methyl-3-isoxazolyl)-3-oxo-, 1,1-dioxide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=59826-54-9 (retrieved 2024-09-15) (CAS RN: 59826-54-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    218-220 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C13H11N3O5S/c1-8-6-11(15-21-8)14-12(17)7-16-13(18)9-4-2-3-5-10(9)22(16,19)20/h2-6H,7H2,1H3,(H,14,15,17)

InChIKey

InChIKey=OCEZJTJAJHRHDA-UHFFFAOYSA-N

SMILES

O=C1C=2C(S(=O)(=O)N1CC(NC3=NOC(C)=C3)=O)=CC=CC2

Canonical SMILES

O=C1C=2C=CC=CC2S(=O)(=O)N1CC(=O)NC3=NOC(=C3)C

Other Names for this Substance

  • 1,2-Benzisothiazole-2(3H)-acetamide, N-(5-methyl-3-isoxazolyl)-3-oxo-, 1,1-dioxide