• 
  [Synonyms]
  NSC174637
  [Structure]
  
  
  
  [ Properties Computed from Structure]
  

  Molecular Weight	435.59842 [g/mol]
  Molecular Formula	C19H33NO6S2
  H-Bond Donor	1
  H-Bond Acceptor	7
  Rotatable Bond Count	3
  Tautomer Count	2
  Exact Mass	435.174929
  MonoIsotopic Mass	435.174929
  Topological Polar Surface Area	109
  Heavy Atom Count	28
  Formal Charge	0
  Complexity	678
  Isotope Atom Count	0
  Defined Atom StereoCenter Count	0
  Undefined Atom StereoCenter Count	4
  Defined Bond StereoCenter Count	0
  Undefined Bond StereoCenter Count	0
  Covalently-Bonded Unit Count	2

  
  [ Descriptors Computed from Structure]
  IUPAC Name: (7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonic acid;
  2-methyl-3-piperidin-1-ylthietane 1,1-dioxide
  Canonical SMILES: CC1C(CS1(=O)=O)N2CCCCC2.CC1(C2CCC1(C(=O)C2)CS(=O)(=O)O)C
  InChI: InChI=1/C10H16O4S.C9H17NO2S/c1-9(2)7-3-4-10(9,8(11)5-7)6-15(12,
  13)14;1-8-9(7-13(8,11)12)10-5-3-2-4-6-10/h7H,3-6H2,1-2H3,(H,12,13,
  14);8-9H,2-7H2,1H3/f/h12H;