
 CHEMBL111463

 40 42  0  0  0  0  0  0  0  0999 V2000
    0.3667   -0.5058    1.0434 C   0  0  0  0  0
    1.6342   -0.5937    0.3091 N   0  0  0  0  0
    2.3453   -1.8359    0.2714 C   0  0  0  0  0
    3.5925   -1.8588    0.9061 C   0  0  0  0  0
    4.3861   -2.9995    0.8614 C   0  0  0  0  0
    3.9429   -4.1185    0.1646 C   0  0  0  0  0
    2.6946   -4.1153   -0.4868 C   0  0  0  0  0
    1.8742   -2.9643   -0.4315 C   0  0  0  0  0
    0.4957   -2.9692   -1.0566 C   0  0  0  0  0
    0.2042   -4.1316   -2.0017 C   0  0  0  0  0
    0.7801   -5.4338   -1.4622 C   0  0  0  0  0
    2.3060   -5.3340   -1.3147 C   0  0  0  0  0
    2.9828   -5.3605   -2.6608 C   0  0  0  0  0
    3.0753   -6.3548   -3.6143 C   0  0  0  0  0
    3.7861   -5.9304   -4.7059 N   0  0  0  0  0
    4.1253   -4.6915   -4.4372 C   0  0  0  0  0
    3.6597   -4.2969   -3.2163 N   0  0  0  0  0
    1.9051    0.4925   -0.9663 S   0  0  0  0  0
    3.0098    0.0336   -1.7821 O   0  0  0  0  0
    0.6255    0.8331   -1.5546 O   0  0  0  0  0
    2.4757    1.9130   -0.0576 C   0  0  0  0  0
    0.2714    0.4775    1.5129 H   0  0  0  0  0
    0.3246   -1.2530    1.8425 H   0  0  0  0  0
   -0.4886   -0.6661    0.3809 H   0  0  0  0  0
    3.9539   -0.9796    1.4321 H   0  0  0  0  0
    5.3561   -3.0096    1.3515 H   0  0  0  0  0
    4.5845   -4.9971    0.1112 H   0  0  0  0  0
   -0.2336   -3.0116   -0.2378 H   0  0  0  0  0
    0.3243   -2.0402   -1.6098 H   0  0  0  0  0
   -0.8794   -4.2287   -2.1365 H   0  0  0  0  0
    0.6203   -3.9163   -2.9930 H   0  0  0  0  0
    0.5029   -6.2638   -2.1231 H   0  0  0  0  0
    0.3295   -5.6474   -0.4834 H   0  0  0  0  0
    2.6314   -6.2296   -0.7662 H   0  0  0  0  0
    2.6582   -7.3530   -3.5745 H   0  0  0  0  0
    4.6984   -4.0353   -5.0786 H   0  0  0  0  0
    3.7922   -3.3833   -2.7990 H   0  0  0  0  0
    1.6880    2.2486    0.6188 H   0  0  0  0  0
    2.7025    2.7031   -0.7768 H   0  0  0  0  0
    3.3788    1.6446    0.4936 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 18  1  0  0  0
  2  3  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 25  1  0  0  0
  5  6  2  0  0  0
  5 26  1  0  0  0
  6  7  1  0  0  0
  6 27  1  0  0  0
  7 12  1  0  0  0
  7  8  2  0  0  0
  8  9  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 32  1  0  0  0
 11 33  1  0  0  0
 12 13  1  0  0  0
 12 34  1  0  0  0
 13 14  2  0  0  0
 13 17  1  0  0  0
 14 15  1  0  0  0
 14 35  1  0  0  0
 15 16  2  0  0  0
 16 17  1  0  0  0
 16 36  1  0  0  0
 17 37  1  0  0  0
 18 21  1  0  0  0
 18 20  2  0  0  0
 18 19  2  0  0  0
 21 38  1  0  0  0
 21 39  1  0  0  0
 21 40  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL111463

>  <PubChem CID>
9904606

>  <Formula>
C15H19N3O2S

>  <Molecular Weight>
305.396000

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

>  <XlogP>
1.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CN(C1=CC=CC2=C1CCCC2C3=CN=CN3)S(=O)(=O)C

>  <Isomeric SMILES>
CN(C1=CC=CC2=C1CCCC2C3=CN=CN3)S(=O)(=O)C

>  <InChI Std. ID>
InChI=1S/C15H19N3O2S/c1-18(21(2,19)20)15-8-4-5-11-12(6-3-7-13(11)15)14-9-16-10-17-14/h4-5,8-10,12H,3,6-7H2,1-2H3,(H,16,17)

>  <InChI Key>
FVFGLHKVXSNGFR-UHFFFAOYSA-N

