
 N-[5,6,7,8-tetrahydro-5-(1H-imidazol-5-yl)-1-naphthalenyl]-Methanesulfonamide

 37 39  0  0  0  0  0  0  0  0999 V2000
    1.1128    1.3107   -1.4862 C   0  0  0  0  0
    2.5025    0.2014   -1.4781 S   0  0  0  0  0
    1.9950   -1.1418   -1.3017 O   0  0  0  0  0
    3.3785    0.5421   -2.5785 O   0  0  0  0  0
    3.2181    0.6142    0.0083 N   0  0  0  0  0
    4.5613    1.1006   -0.0575 C   0  0  0  0  0
    4.7405    2.4726   -0.2496 C   0  0  0  0  0
    6.0211    2.9984   -0.3786 C   0  0  0  0  0
    7.1226    2.1487   -0.3396 C   0  0  0  0  0
    6.9606    0.7599   -0.1708 C   0  0  0  0  0
    5.6622    0.2208   -0.0306 C   0  0  0  0  0
    5.4649   -1.2591    0.2135 C   0  0  0  0  0
    6.6609   -2.1280   -0.1608 C   0  0  0  0  0
    7.9529   -1.5204    0.3670 C   0  0  0  0  0
    8.2009   -0.1234   -0.2244 C   0  0  0  0  0
    8.7683   -0.2203   -1.6138 C   0  0  0  0  0
   10.0674   -0.3467   -2.0609 C   0  0  0  0  0
   10.1154   -0.3965   -3.4292 N   0  0  0  0  0
    8.8672   -0.2982   -3.8237 C   0  0  0  0  0
    8.0131   -0.1880   -2.7646 N   0  0  0  0  0
    1.4759    2.3386   -1.5070 H   0  0  0  0  0
    0.5070    1.1237   -0.5968 H   0  0  0  0  0
    0.5235    1.1036   -2.3825 H   0  0  0  0  0
    3.0862   -0.1666    0.6562 H   0  0  0  0  0
    3.8836    3.1385   -0.2940 H   0  0  0  0  0
    6.1623    4.0663   -0.5241 H   0  0  0  0  0
    8.1199    2.5698   -0.4641 H   0  0  0  0  0
    5.2458   -1.3928    1.2806 H   0  0  0  0  0
    4.6028   -1.6318   -0.3484 H   0  0  0  0  0
    6.5232   -3.1336    0.2531 H   0  0  0  0  0
    6.7117   -2.2438   -1.2497 H   0  0  0  0  0
    8.7933   -2.1920    0.1534 H   0  0  0  0  0
    7.8828   -1.4435    1.4604 H   0  0  0  0  0
    8.9651    0.3504    0.4090 H   0  0  0  0  0
   10.9712   -0.4045   -1.4680 H   0  0  0  0  0
    8.5227   -0.2982   -4.8490 H   0  0  0  0  0
    7.0072   -0.0839   -2.8207 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
 17 35  1  0  0  0
 18 19  2  0  0  0
 19 20  1  0  0  0
 19 36  1  0  0  0
 20 37  1  0  0  0
M  END

>  <Chemical Name>
N-[5,6,7,8-tetrahydro-5-(1H-imidazol-5-yl)-1-naphthalenyl]-Methanesulfonamide

>  <PubChem CID>
9904117

>  <Formula>
C14H17N3O2S

>  <Molecular Weight>
291.369000

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

>  <XlogP>
1.7

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CS(=O)(=O)NC1=CC=CC2=C1CCCC2C3=CN=CN3

>  <Isomeric SMILES>
CS(=O)(=O)NC1=CC=CC2=C1CCCC2C3=CN=CN3

>  <InChI Std. ID>
InChI=1S/C14H17N3O2S/c1-20(18,19)17-13-7-3-4-10-11(13)5-2-6-12(10)14-8-15-9-16-14/h3-4,7-9,12,17H,2,5-6H2,1H3,(H,15,16)

>  <InChI Key>
FTWWLMPVXHMPNP-UHFFFAOYSA-N

