2815708
  CDK     0105241540

 16 17  0  0  0  0  0  0  0  0999 V2000
    2.3645   -1.7053    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520   -2.4197    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7770   -2.4197    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -0.0553    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.4678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -0.4678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -1.2928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -1.2928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.7697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    1.1822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    0.7697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    2.0072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    1.1822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    2.4197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    2.0072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2223    2.4197    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  7  1  0  0  0  0 
  1  8  1  0  0  0  0 
  4  5  1  0  0  0  0 
  4  6  1  0  0  0  0 
  4  9  1  0  0  0  0 
  5  7  1  0  0  0  0 
  6  8  1  0  0  0  0 
  9 10  1  0  0  0  0 
 10 11  2  0  0  0  0 
 10 12  1  0  0  0  0 
 11 13  1  0  0  0  0 
 12 14  2  0  0  0  0 
 13 15  2  0  0  0  0 
 14 15  1  0  0  0  0 
 15 16  1  0  0  0  0 
M  END
> <ID>
CHEBI:228534

> <NAME>
4-(4-methylbenzyl)-1lambda~6~,4-thiazinane-1,1-dione

> <STAR>
2

> <IUPAC_NAME>
4-[(4-methylphenyl)methyl]-1,4-thiazinane 1,1-dioxide

> <FORMULA>
C12H17NO2S

> <MASS>
239.330

> <MONOISOTOPIC_MASS>
239.09800

> <CHARGE>
0

> <SMILES>
S1(=O)(=O)CCN(CC1)CC2=CC=C(C=C2)C

> <INCHI>
InChI=1S/C12H17NO2S/c1-11-2-4-12(5-3-11)10-13-6-8-16(14,15)9-7-13/h2-5H,6-10H2,1H3

> <INCHIKEY>
PBEMXBVPRZGFNM-UHFFFAOYSA-N

> <PDBECHEM_ACCESSION>
LVV

$$$$