2-methyl-4-nitrobenzenesulfonamide
  -molcms-05142609362D

 14 14  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.7321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000   -0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5000    0.8660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5000   -0.8660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0000    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0000    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0000   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  2  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  3 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
M  CHG  2   8   1  10  -1
M  END
>  <ProductName>
2-methyl-4-nitrobenzenesulfonamide

>  <CASNumber>
22952-19-8

>  <MolecularFormula>
C7 H8 N2 O4 S

>  <MDLNo>


>  <MolWt>
216.21

>  <BoilingPoint>
432.7��55.0 ��C(Predicted)

>  <MeltingPoint>
155-157 ��C

>  <MolFile>


>  <Smiles>
CC1=C(C=CC(=C1)[N+](=O)[O-])S(=O)(=O)N

$$$$