
 CHEMBL322042

 37 39  0  0  0  0  0  0  0  0999 V2000
    1.3485    2.1962   -1.4876 C   0  0  0  0  0
    2.5843    0.9178   -1.5197 S   0  0  0  0  0
    1.9028   -0.3600   -1.4960 O   0  0  0  0  0
    3.5667    1.2338   -2.5341 O   0  0  0  0  0
    3.2559    1.0975    0.0325 N   0  0  0  0  0
    4.6358    1.4691    0.0754 C   0  0  0  0  0
    5.6569    0.4952    0.0764 C   0  0  0  0  0
    5.3204   -0.9750    0.2030 C   0  0  0  0  0
    6.4700   -1.9313   -0.1011 C   0  0  0  0  0
    7.7750   -1.4331    0.5061 C   0  0  0  0  0
    8.1606   -0.0504   -0.0462 C   0  0  0  0  0
    7.0014    0.9277    0.0304 C   0  0  0  0  0
    7.2784    2.3031   -0.0077 C   0  0  0  0  0
    6.2639    3.2509   -0.0190 C   0  0  0  0  0
    4.9383    2.8327    0.0081 C   0  0  0  0  0
    8.5491    2.7286   -0.0408 F   0  0  0  0  0
    8.7257   -0.1676   -1.4359 C   0  0  0  0  0
   10.0146   -0.3924   -1.8748 C   0  0  0  0  0
   10.0695   -0.4422   -3.2429 N   0  0  0  0  0
    8.8382   -0.2336   -3.6462 C   0  0  0  0  0
    7.9882   -0.0546   -2.5932 N   0  0  0  0  0
    1.8387    3.1654   -1.3762 H   0  0  0  0  0
    0.6625    2.0048   -0.6591 H   0  0  0  0  0
    0.8033    2.1615   -2.4337 H   0  0  0  0  0
    3.0178    0.2709    0.5844 H   0  0  0  0  0
    4.9842   -1.1476    1.2335 H   0  0  0  0  0
    4.4904   -1.2355   -0.4622 H   0  0  0  0  0
    6.2293   -2.9257    0.2927 H   0  0  0  0  0
    6.5775   -2.0490   -1.1855 H   0  0  0  0  0
    8.5721   -2.1636    0.3206 H   0  0  0  0  0
    7.6545   -1.3687    1.5959 H   0  0  0  0  0
    8.9608    0.3300    0.6051 H   0  0  0  0  0
    6.5154    4.3059   -0.0615 H   0  0  0  0  0
    4.1443    3.5736   -0.0155 H   0  0  0  0  0
   10.9058   -0.5265   -1.2749 H   0  0  0  0  0
    8.5036   -0.1990   -4.6744 H   0  0  0  0  0
    6.9956    0.1322   -2.6609 H   0  0  0  0  0
  1  2  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  2  5  1  0  0  0
  2  4  2  0  0  0
  2  3  2  0  0  0
  5  6  1  0  0  0
  5 25  1  0  0  0
  6 15  1  0  0  0
  6  7  2  0  0  0
  7 12  1  0  0  0
  7  8  1  0  0  0
  8  9  1  0  0  0
  8 26  1  0  0  0
  8 27  1  0  0  0
  9 10  1  0  0  0
  9 28  1  0  0  0
  9 29  1  0  0  0
 10 11  1  0  0  0
 10 30  1  0  0  0
 10 31  1  0  0  0
 11 12  1  0  0  0
 11 17  1  0  0  0
 11 32  1  0  0  0
 12 13  2  0  0  0
 13 14  1  0  0  0
 13 16  1  0  0  0
 14 15  2  0  0  0
 14 33  1  0  0  0
 15 34  1  0  0  0
 17 18  2  0  0  0
 17 21  1  0  0  0
 18 19  1  0  0  0
 18 35  1  0  0  0
 19 20  2  0  0  0
 20 21  1  0  0  0
 20 36  1  0  0  0
 21 37  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL322042

>  <PubChem CID>
9796667

>  <Formula>
C14H16FN3O2S

>  <Molecular Weight>
309.359000

>  <IUPAC Name>
N-[4-fluoro-5-(1H-imidazol-5-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]methanesulfonamide

>  <XlogP>
1.8

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CS(=O)(=O)NC1=C2CCCC(C2=C(C=C1)F)C3=CN=CN3

>  <Isomeric SMILES>
CS(=O)(=O)NC1=C2CCCC(C2=C(C=C1)F)C3=CN=CN3

>  <InChI Std. ID>
InChI=1S/C14H16FN3O2S/c1-21(19,20)18-12-6-5-11(15)14-9(12)3-2-4-10(14)13-7-16-8-17-13/h5-8,10,18H,2-4H2,1H3,(H,16,17)

>  <InChI Key>
VSARTHVTGRSGOA-UHFFFAOYSA-N

