2813112
  CDK     1112211142

 22 24  0  0  0  0  0  0  0  0999 V2000
    4.4907   -0.7415    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.6342    2.1460    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2052   -0.3290    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0782   -0.0271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9032   -1.4560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6342    0.4960    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4705   -1.4316    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6901   -1.9745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3487    0.9085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9198    0.9085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3487    1.7335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9198    1.7335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6342   -0.3290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9198   -0.7415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3487   -0.7415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9198   -1.5665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3487   -1.5665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6342   -1.9791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7763   -1.1540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0225   -0.8184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8830   -2.1460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -1.3454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0 
  1  4  2  0  0  0  0 
  1  5  2  0  0  0  0 
  1 19  1  0  0  0  0 
  2 11  1  0  0  0  0 
  2 12  1  0  0  0  0 
  3 14  1  0  0  0  0 
  6  9  1  0  0  0  0 
  6 10  1  0  0  0  0 
  6 13  1  0  0  0  0 
  7 20  1  0  0  0  0 
  7 21  1  0  0  0  0 
  7 22  1  0  0  0  0 
  8 19  1  0  0  0  0 
  8 21  2  0  0  0  0 
  9 11  1  0  0  0  0 
 10 12  1  0  0  0  0 
 13 14  1  0  0  0  0 
 13 15  2  0  0  0  0 
 14 16  2  0  0  0  0 
 15 17  1  0  0  0  0 
 16 18  1  0  0  0  0 
 17 18  2  0  0  0  0 
 19 20  2  0  0  0  0 
M  END
> <ID>
CHEBI:183763

> <NAME>
2-morpholinophenyl 1-methyl-1H-imidazole-4-sulfonate

> <STAR>
2

> <IUPAC_NAME>
(2-morpholin-4-ylphenyl) 1-methylimidazole-4-sulonate

> <FORMULA>
C14H17N3O4S

> <MASS>
323.370

> <MONOISOTOPIC_MASS>
323.09398

> <CHARGE>
0

> <SMILES>
S(OC=1C(N2CCOCC2)=CC=CC1)(=O)(=O)C=3N=CN(C3)C

> <INCHI>
InChI=1S/C14H17N3O4S/c1-16-10-14(15-11-16)22(18,19)21-13-5-3-2-4-12(13)17-6-8-20-9-7-17/h2-5,10-11H,6-9H2,1H3

> <INCHIKEY>
YIETXZDHTKEPAF-UHFFFAOYSA-N

$$$$