• 
  [Synonyms]
  BRN 1010020
  LS-33582
  1,2-Benzisothiazoline-3-acetic acid, butyl ester, 1,1-dioxide
  23274-75-1
  
  [Structure]
  
  
  
  [ Properties Computed from Structure]
  

  Molecular Weight	283.34338 [g/mol]
  Molecular Formula	C13H17NO4S
  XLogP	1.9
  H-Bond Donor	1
  H-Bond Acceptor	5
  Rotatable Bond Count	6
  Exact Mass	283.087829
  MonoIsotopic Mass	283.087829
  Topological Polar Surface Area	72.5
  Heavy Atom Count	19
  Formal Charge	0
  Complexity	415
  Isotope Atom Count	0
  Defined Atom StereoCenter Count	0
  Undefined Atom StereoCenter Count	1
  Defined Bond StereoCenter Count	0
  Undefined Bond StereoCenter Count	0
  Covalently-Bonded Unit Count	1

  
  [ Descriptors Computed from Structure]
  IUPAC Name: butyl 2-(1,1-dioxo-2,3-dihydro-1,2-benzothiazol-3-yl)acetate
  Canonical SMILES: CCCCOC(=O)CC1C2=CC=CC=C2S(=O)(=O)N1
  InChI: InChI=1/C13H17NO4S/c1-2-3-8-18-13(15)9-11-10-6-4-5-7-12(10)19(16,
  17)14-11/h4-7,11,14H,2-3,8-9H2,1H3