
 CHEMBL109755

 39 41  0  0  0  0  0  0  0  0999 V2000
    1.8821    2.6749   -1.7196 C   0  0  0  0  0
    2.5534    1.0424   -1.4873 S   0  0  0  0  0
    1.4418    0.1425   -1.2553 O   0  0  0  0  0
    3.5280    0.7729   -2.5213 O   0  0  0  0  0
    3.3199    1.1987    0.0140 N   0  0  0  0  0
    4.7117    1.5251   -0.0009 C   0  0  0  0  0
    5.0526    2.8794   -0.0332 C   0  0  0  0  0
    6.3866    3.2639   -0.0998 C   0  0  0  0  0
    7.3817    2.2929   -0.1444 C   0  0  0  0  0
    7.0575    0.9240   -0.1166 C   0  0  0  0  0
    5.7041    0.5260   -0.0528 C   0  0  0  0  0
    5.3335   -0.9380    0.0338 C   0  0  0  0  0
    6.4485   -1.9007   -0.3636 C   0  0  0  0  0
    7.7740   -1.4871    0.2595 C   0  0  0  0  0
    8.1920   -0.0832   -0.1955 C   0  0  0  0  0
    8.8193   -0.1560   -1.5842 C   0  0  0  0  0
   10.0804   -0.4865   -1.7346 N   0  0  0  0  0
   10.2824   -0.4792   -3.2141 C   0  0  0  0  0
    8.8831   -0.4759   -3.8380 C   0  0  0  0  0
    8.1111    0.0494   -2.7431 N   0  0  0  0  0
    2.6989    3.3834   -1.8617 H   0  0  0  0  0
    1.2766    2.9380   -0.8505 H   0  0  0  0  0
    1.2556    2.6554   -2.6140 H   0  0  0  0  0
    3.0625    0.4085    0.6071 H   0  0  0  0  0
    4.2828    3.6436    0.0129 H   0  0  0  0  0
    6.6529    4.3173   -0.1198 H   0  0  0  0  0
    8.4236    2.6045   -0.2083 H   0  0  0  0  0
    5.0385   -1.1451    1.0703 H   0  0  0  0  0
    4.4688   -1.1534   -0.6029 H   0  0  0  0  0
    6.1852   -2.9148   -0.0418 H   0  0  0  0  0
    6.5406   -1.9365   -1.4551 H   0  0  0  0  0
    8.5455   -2.2240    0.0058 H   0  0  0  0  0
    7.6719   -1.4994    1.3528 H   0  0  0  0  0
    8.9857    0.2486    0.4891 H   0  0  0  0  0
   10.8394    0.4238   -3.4889 H   0  0  0  0  0
   10.8580   -1.3549   -3.5281 H   0  0  0  0  0
    8.5600   -1.4955   -4.0746 H   0  0  0  0  0
    8.8236    0.1453   -4.7353 H   0  0  0  0  0
    7.1021   -0.0558   -2.7410 H   0  0  0  0  0
  1  2  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  1 23  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 24  1  0  0  0
  6  7  2  0  0  0
  6 11  1  0  0  0
  7  8  1  0  0  0
  7 25  1  0  0  0
  8  9  2  0  0  0
  8 26  1  0  0  0
  9 10  1  0  0  0
  9 27  1  0  0  0
 10 15  1  0  0  0
 10 11  2  0  0  0
 11 12  1  0  0  0
 12 13  1  0  0  0
 12 28  1  0  0  0
 12 29  1  0  0  0
 13 14  1  0  0  0
 13 30  1  0  0  0
 13 31  1  0  0  0
 14 15  1  0  0  0
 14 32  1  0  0  0
 14 33  1  0  0  0
 15 16  1  0  0  0
 15 34  1  0  0  0
 16 17  2  0  0  0
 16 20  1  0  0  0
 17 18  1  0  0  0
 18 19  1  0  0  0
 18 35  1  0  0  0
 18 36  1  0  0  0
 19 20  1  0  0  0
 19 37  1  0  0  0
 19 38  1  0  0  0
 20 39  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL109755

>  <PubChem CID>
11312410

>  <Formula>
C14H19N3O2S

>  <Molecular Weight>
293.385000

>  <IUPAC Name>
N-[5-(4,5-dihydro-1H-imidazol-2-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]methanesulfonamide

>  <XlogP>
0.8

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CS(=O)(=O)NC1=CC=CC2=C1CCCC2C3=NCCN3

>  <Isomeric SMILES>
CS(=O)(=O)NC1=CC=CC2=C1CCCC2C3=NCCN3

>  <InChI Std. ID>
InChI=1S/C14H19N3O2S/c1-20(18,19)17-13-7-3-4-10-11(13)5-2-6-12(10)14-15-8-9-16-14/h3-4,7,12,17H,2,5-6,8-9H2,1H3,(H,15,16)

>  <InChI Key>
LKFPATSTESMUII-UHFFFAOYSA-N

