
 CHEMBL327116

 40 42  0  0  0  0  0  0  0  0999 V2000
    4.8316   -1.0586    2.9917 C   0  0  0  0  0
    5.0379   -0.3440    1.6705 C   0  0  0  0  0
    4.2820    1.2752    1.6830 S   0  0  0  0  0
    2.8453    1.1005    1.7150 O   0  0  0  0  0
    4.9717    2.1029    2.6467 O   0  0  0  0  0
    4.6321    1.7839    0.0961 N   0  0  0  0  0
    5.4289    2.9630   -0.0211 C   0  0  0  0  0
    4.8093    4.2072   -0.1299 C   0  0  0  0  0
    5.5750    5.3872   -0.1544 C   0  0  0  0  0
    6.9781    5.3010   -0.0659 C   0  0  0  0  0
    7.8492    6.5317    0.0157 C   0  0  0  0  0
    7.1503    7.8229   -0.4013 C   0  0  0  0  0
    5.7410    7.8948    0.1785 C   0  0  0  0  0
    4.8658    6.7246   -0.3045 C   0  0  0  0  0
    4.3801    6.9563   -1.7086 C   0  0  0  0  0
    3.2703    7.6162   -2.1940 C   0  0  0  0  0
    3.2392    7.5866   -3.5641 N   0  0  0  0  0
    4.3100    6.9174   -3.9213 C   0  0  0  0  0
    5.0291    6.5091   -2.8363 N   0  0  0  0  0
    7.5843    4.0395    0.0479 C   0  0  0  0  0
    6.8136    2.8762    0.0741 C   0  0  0  0  0
    5.2830   -2.0549    2.9613 H   0  0  0  0  0
    3.7664   -1.1724    3.2173 H   0  0  0  0  0
    5.2888   -0.5015    3.8159 H   0  0  0  0  0
    4.5841   -0.9151    0.8551 H   0  0  0  0  0
    6.1055   -0.2110    1.4739 H   0  0  0  0  0
    3.7459    1.8337   -0.4128 H   0  0  0  0  0
    3.7242    4.2723   -0.1779 H   0  0  0  0  0
    8.1873    6.6315    1.0551 H   0  0  0  0  0
    8.7409    6.3973   -0.6083 H   0  0  0  0  0
    7.7390    8.6819   -0.0586 H   0  0  0  0  0
    7.1124    7.8904   -1.4945 H   0  0  0  0  0
    5.2821    8.8571   -0.0794 H   0  0  0  0  0
    5.8111    7.8640    1.2743 H   0  0  0  0  0
    3.9825    6.7043    0.3503 H   0  0  0  0  0
    2.4939    8.1157   -1.6287 H   0  0  0  0  0
    4.6129    6.6983   -4.9365 H   0  0  0  0  0
    5.8847    5.9704   -2.8582 H   0  0  0  0  0
    8.6653    3.9589    0.1448 H   0  0  0  0  0
    7.3000    1.9120    0.1840 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  3  1  0  0  0
  2 25  1  0  0  0
  2 26  1  0  0  0
  3  6  1  0  0  0
  3  5  2  0  0  0
  3  4  2  0  0  0
  6  7  1  0  0  0
  6 27  1  0  0  0
  7  8  2  0  0  0
  7 21  1  0  0  0
  8  9  1  0  0  0
  8 28  1  0  0  0
  9 14  1  0  0  0
  9 10  2  0  0  0
 10 20  1  0  0  0
 10 11  1  0  0  0
 11 12  1  0  0  0
 11 29  1  0  0  0
 11 30  1  0  0  0
 12 13  1  0  0  0
 12 31  1  0  0  0
 12 32  1  0  0  0
 13 14  1  0  0  0
 13 33  1  0  0  0
 13 34  1  0  0  0
 14 15  1  0  0  0
 14 35  1  0  0  0
 15 16  2  0  0  0
 15 19  1  0  0  0
 16 17  1  0  0  0
 16 36  1  0  0  0
 17 18  2  0  0  0
 18 19  1  0  0  0
 18 37  1  0  0  0
 19 38  1  0  0  0
 20 21  2  0  0  0
 20 39  1  0  0  0
 21 40  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL327116

>  <PubChem CID>
11347303

>  <Formula>
C15H19N3O2S

>  <Molecular Weight>
305.396000

>  <IUPAC Name>
N-[8-(1H-imidazol-5-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]ethanesulfonamide

>  <XlogP>
2.100

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCS(=O)(=O)NC1=CC2=C(CCCC2C3=CN=CN3)C=C1

>  <Isomeric SMILES>
CCS(=O)(=O)NC1=CC2=C(CCCC2C3=CN=CN3)C=C1

>  <InChI Std. ID>
InChI=1S/C15H19N3O2S/c1-2-21(19,20)18-12-7-6-11-4-3-5-13(14(11)8-12)15-9-16-10-17-15/h6-10,13,18H,2-5H2,1H3,(H,16,17)

>  <InChI Key>
BBMAPNYYKCUOGH-UHFFFAOYSA-N

