
 CHEMBL111584

 40 42  0  0  0  0  0  0  0  0999 V2000
    1.0974    1.0945    2.4238 C   0  0  0  0  0
    2.1819    0.9898    1.4830 N   0  0  0  0  0
    3.4688    1.3865    1.6884 C   0  0  0  0  0
    4.1356    1.1082    0.5073 C   0  0  0  0  0
    3.2587    0.5329   -0.3938 N   0  0  0  0  0
    2.0995    0.4775    0.2228 C   0  0  0  0  0
    5.5787    1.3138    0.1192 C   0  0  0  0  0
    6.4671    0.1241    0.4951 C   0  0  0  0  0
    6.7212    0.0620    1.9955 C   0  0  0  0  0
    7.3892    1.3397    2.4967 C   0  0  0  0  0
    6.8104    2.6225    1.9422 C   0  0  0  0  0
    6.0190    2.6143    0.7710 C   0  0  0  0  0
    5.5835    3.8348    0.2176 C   0  0  0  0  0
    5.8996    5.0478    0.8225 C   0  0  0  0  0
    6.6538    5.0592    1.9908 C   0  0  0  0  0
    7.1202    3.8590    2.5375 C   0  0  0  0  0
    7.8458    3.9138    3.7768 N   0  0  0  0  0
    6.8538    3.9408    5.1668 S   0  0  0  0  0
    6.7707    5.3274    5.5731 O   0  0  0  0  0
    5.6746    3.1273    4.9683 O   0  0  0  0  0
    7.9146    3.0905    6.3120 C   0  0  0  0  0
    1.3862    1.7605    3.2410 H   0  0  0  0  0
    0.8820    0.0959    2.8117 H   0  0  0  0  0
    0.2235    1.5022    1.9093 H   0  0  0  0  0
    3.8044    1.8302    2.6176 H   0  0  0  0  0
    1.1830    0.0813   -0.1940 H   0  0  0  0  0
    5.6304    1.4343   -0.9715 H   0  0  0  0  0
    6.0155   -0.8161    0.1562 H   0  0  0  0  0
    7.4323    0.2170   -0.0204 H   0  0  0  0  0
    7.3594   -0.7980    2.2302 H   0  0  0  0  0
    5.7794   -0.1001    2.5321 H   0  0  0  0  0
    8.4515    1.3130    2.2220 H   0  0  0  0  0
    7.3357    1.3313    3.5900 H   0  0  0  0  0
    4.9667    3.8339   -0.6804 H   0  0  0  0  0
    5.5375    5.9792    0.3954 H   0  0  0  0  0
    6.8637    6.0095    2.4745 H   0  0  0  0  0
    8.4417    4.7440    3.8159 H   0  0  0  0  0
    8.0876    2.0747    5.9524 H   0  0  0  0  0
    7.4104    3.0608    7.2804 H   0  0  0  0  0
    8.8533    3.6408    6.4007 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  6  1  0  0  0
  3  4  2  0  0  0
  3 25  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  2  0  0  0
  6 26  1  0  0  0
  7  8  1  0  0  0
  7 12  1  0  0  0
  7 27  1  0  0  0
  8  9  1  0  0  0
  8 28  1  0  0  0
  8 29  1  0  0  0
  9 10  1  0  0  0
  9 30  1  0  0  0
  9 31  1  0  0  0
 10 11  1  0  0  0
 10 32  1  0  0  0
 10 33  1  0  0  0
 11 16  1  0  0  0
 11 12  2  0  0  0
 12 13  1  0  0  0
 13 14  2  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 36  1  0  0  0
 16 17  1  0  0  0
 17 18  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>
CHEMBL111584

>  <PubChem CID>
9796525

>  <Formula>
C15H19N3O2S

>  <Molecular Weight>
305.396000

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

>  <XlogP>
1.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CN1C=C(N=C1)C2CCCC3=C2C=CC=C3NS(=O)(=O)C

>  <Isomeric SMILES>
CN1C=C(N=C1)C2CCCC3=C2C=CC=C3NS(=O)(=O)C

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

>  <InChI Key>
LYWFNHZAKZKEFI-UHFFFAOYSA-N

