Compound 3
  CDK     0517191930

 14 14  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8249    0.0065    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8380    0.0065    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0065    0.8380    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0065   -0.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7071    1.2571    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7333    1.2571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7333   -1.2309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7071   -1.2309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7006    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7398   -2.0558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7006   -2.0558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0262   -2.4618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0327   -3.2867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0 
  1  3  2  0  0  0  0 
  1  4  1  0  0  0  0 
  1  5  1  0  0  0  0 
  4  6  1  0  0  0  0 
  4  7  1  0  0  0  0 
  5  8  2  0  0  0  0 
  5  9  1  0  0  0  0 
  6 10  2  0  0  0  0 
  8 11  1  0  0  0  0 
  9 12  2  0  0  0  0 
 11 13  2  0  0  0  0 
 13 14  1  0  0  0  0 
 12 13  1  0  0  0  0 
M  END
> <ID>
CHEBI:143725

> <NAME>
N,4-dimethyl-N-nitrosobenzenesulfonamide

> <STAR>
2

> <FORMULA>
C8H10N2O3S

> <MASS>
214.243

> <MONOISOTOPIC_MASS>
214.041

> <CHARGE>
0

> <SMILES>
S(=O)(=O)(N(N=O)C)C1=CC=C(C)C=C1

> <INCHI>
InChI=1S/C8H10N2O3S/c1-7-3-5-8(6-4-7)14(12,13)10(2)9-11/h3-6H,1-2H3

> <INCHIKEY>
FFKZOUIEAHOBHW-UHFFFAOYSA-N

$$$$