null
  CDK     0224162154
null
 27 30  0  0  0  0  0  0  0  0999 V2000
   -2.1434   -2.8875    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
   -3.5724   -2.8875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8414   -0.9355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0164   -2.3645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -3.3000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6993   -2.5855    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8743   -4.0145    0.0000 O   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
   -5.0875   -4.5330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8945   -4.7045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3070   -3.9900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7550   -3.3769    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0 
  2  3  1  0  0  0  0 
  3  4  1  0  0  0  0 
  4  5  1  0  0  0  0 
  5  6  1  0  0  0  0 
  6  1  1  0  0  0  0 
  6  7  1  0  0  0  0 
  7  8  2  0  0  0  0 
  7  9  2  0  0  0  0 
  7 10  1  0  0  0  0 
 10 11  2  0  0  0  0 
 11 12  1  0  0  0  0 
 12 13  2  0  0  0  0 
 13 14  1  0  0  0  0 
 14 15  2  0  0  0  0 
 15 10  1  0  0  0  0 
 13 16  1  0  0  0  0 
 16 17  1  0  0  0  0 
 17 18  1  0  0  0  0 
 18 19  1  0  0  0  0 
 19 12  1  0  0  0  0 
  3 20  1  0  0  0  0 
 20 21  2  0  0  0  0 
 20 22  2  0  0  0  0 
 20 23  1  0  0  0  0 
 23 24  2  0  0  0  0 
 24 25  1  0  0  0  0 
 25 26  2  0  0  0  0 
 26 27  1  0  0  0  0 
 27 23  1  0  0  0  0 
M  END
> <ID>
CHEBI:92884

> <NAME>
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-(2-furanylsulfonyl)piperazine

> <STAR>
2

> <FORMULA>
C16H18N2O7S2

> <MASS>
414.456

> <MONOISOTOPIC_MASS>
414.05554

> <CHARGE>
0

> <SMILES>
C1CN(CCN1S(=O)(=O)C2=CC3=C(C=C2)OCCO3)S(=O)(=O)C4=CC=CO4

> <INCHI>
InChI=1S/C16H18N2O7S2/c19-26(20,13-3-4-14-15(12-13)24-11-10-23-14)17-5-7-18(8-6-17)27(21,22)16-2-1-9-25-16/h1-4,9,12H,5-8,10-11H2

> <INCHIKEY>
FPCNUYLCAWTZRR-UHFFFAOYSA-N

> <LINCS_ACCESSION>
LSM-3123

$$$$