null
  CDK     0224162330
null
 21 22  0  0  0  0  0  0  0  0999 V2000
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -2.4750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.8743   -3.1895    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6993   -1.7605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -3.7125    0.0000 C   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 
  5  9  1  0  0  0  0 
  9 10  1  0  0  0  0 
  9 11  1  0  0  0  0 
  3 12  1  0  0  0  0 
 12 13  1  0  0  0  0 
 13 14  2  0  0  0  0 
 13 15  2  0  0  0  0 
 13 16  1  0  0  0  0 
 16 17  2  0  0  0  0 
 17 18  1  0  0  0  0 
 18 19  2  0  0  0  0 
 19 20  1  0  0  0  0 
 20 21  2  0  0  0  0 
 21 16  1  0  0  0  0 
M  END
> <ID>
CHEBI:105885

> <NAME>
N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)benzenesulfonamide

> <STAR>
2

> <FORMULA>
C16H19NO3S

> <MASS>
305.394

> <MONOISOTOPIC_MASS>
305.10856

> <CHARGE>
0

> <SMILES>
CC1=C(C=C(C(=C1)O)C(C)C)NS(=O)(=O)C2=CC=CC=C2

> <INCHI>
InChI=1S/C16H19NO3S/c1-11(2)14-10-15(12(3)9-16(14)18)17-21(19,20)13-7-5-4-6-8-13/h4-11,17-18H,1-3H3

> <INCHIKEY>
LWRQPXNDCLGMNQ-UHFFFAOYSA-N

> <LINCS_ACCESSION>
LSM-17246

$$$$