145900
  CDK     1106202311

 25 27  0  0  0  0  0  0  0  0999 V2000
    6.5950    0.8539    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.5950    0.0289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5950    1.6789    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8951   -0.5750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    1.6789    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2886    1.5179    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2886    0.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4200   -0.5750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4200    0.8539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7700    0.8539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8326    0.1394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6576    0.1394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    1.2664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    0.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0701   -0.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6576   -1.2895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    1.6789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0701    0.8539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    0.0289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8326   -1.2895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    1.2664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    0.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0701   -2.0040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3076   -1.2895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    1.2664    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  9  1  0  0  0  0 
  1 10  1  0  0  0  0 
  4 15  1  0  0  0  0 
  4 24  1  0  0  0  0 
  5 21  1  0  0  0  0 
  5 25  1  0  0  0  0 
  6 10  1  0  0  0  0 
  6 13  1  0  0  0  0 
  7 10  2  0  0  0  0 
  7 14  1  0  0  0  0 
  8 11  2  0  0  0  0 
  8 20  1  0  0  0  0 
  9 11  1  0  0  0  0 
 11 12  1  0  0  0  0 
 12 15  2  0  0  0  0 
 12 18  1  0  0  0  0 
 13 14  2  0  0  0  0 
 13 17  1  0  0  0  0 
 14 19  1  0  0  0  0 
 15 16  1  0  0  0  0 
 16 20  2  0  0  0  0 
 16 23  1  0  0  0  0 
 17 21  2  0  0  0  0 
 19 22  2  0  0  0  0 
 21 22  1  0  0  0  0 
M  END
> <ID>
CHEBI:166518

> <NAME>
Omeprazole sulfone

> <STAR>
2

> <IUPAC_NAME>
6-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulonyl]-1H-benzimidazole

> <FORMULA>
C17H19N3O4S

> <MASS>
361.420

> <MONOISOTOPIC_MASS>
361.10963

> <CHARGE>
0

> <SMILES>
S(=O)(=O)(CC1=NC=C(C(OC)=C1C)C)C=2NC3=C(N2)C=CC(OC)=C3

> <INCHI>
InChI=1S/C17H19N3O4S/c1-10-8-18-15(11(2)16(10)24-4)9-25(21,22)17-19-13-6-5-12(23-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)

> <INCHIKEY>
IXEQEYRTSRFZEO-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
88546-55-8

> <CHEMIDPLUS>
88546-55-8

$$$$