
 CHEMBL320765

 43 45  0  0  0  0  0  0  0  0999 V2000
    1.9708   -0.0245    2.5257 C   0  0  0  0  0
    2.6481    0.5022    1.2762 C   0  0  0  0  0
    4.2133    1.2734    1.6595 S   0  0  0  0  0
    3.9489    2.4874    2.3987 O   0  0  0  0  0
    5.1154    0.2518    2.1457 O   0  0  0  0  0
    4.7403    1.6477    0.0818 N   0  0  0  0  0
    5.5388    2.8363   -0.0353 C   0  0  0  0  0
    4.8601    4.0470   -0.1997 C   0  0  0  0  0
    5.5658    5.2417   -0.2894 C   0  0  0  0  0
    6.9543    5.2299   -0.2057 C   0  0  0  0  0
    7.6578    4.0244   -0.0196 C   0  0  0  0  0
    6.9461    2.8047    0.0674 C   0  0  0  0  0
    7.6773    1.5117    0.3579 C   0  0  0  0  0
    9.1805    1.5571    0.1019 C   0  0  0  0  0
    9.7855    2.8259    0.6858 C   0  0  0  0  0
    9.1799    4.0825    0.0409 C   0  0  0  0  0
    9.7952    4.3443   -1.3064 C   0  0  0  0  0
   10.9435    5.0138   -1.6712 C   0  0  0  0  0
   11.1174    4.9885   -3.0301 N   0  0  0  0  0
   10.0913    4.3189   -3.5101 C   0  0  0  0  0
    9.2586    3.9173   -2.4980 N   0  0  0  0  0
    9.8195    4.0161   -4.9342 C   0  0  0  0  0
    1.0253   -0.5117    2.2695 H   0  0  0  0  0
    1.7593    0.7861    3.2302 H   0  0  0  0  0
    2.6034   -0.7559    3.0389 H   0  0  0  0  0
    2.0193    1.2500    0.7846 H   0  0  0  0  0
    2.8483   -0.3200    0.5823 H   0  0  0  0  0
    5.2087    0.8230   -0.2939 H   0  0  0  0  0
    3.7746    4.0638   -0.2474 H   0  0  0  0  0
    5.0346    6.1817   -0.4139 H   0  0  0  0  0
    7.4965    6.1721   -0.2794 H   0  0  0  0  0
    7.5120    1.2647    1.4133 H   0  0  0  0  0
    7.2678    0.6958   -0.2471 H   0  0  0  0  0
    9.6523    0.6760    0.5521 H   0  0  0  0  0
    9.3791    1.5003   -0.9746 H   0  0  0  0  0
   10.8755    2.8084    0.5643 H   0  0  0  0  0
    9.5905    2.8431    1.7667 H   0  0  0  0  0
    9.4490    4.9262    0.6932 H   0  0  0  0  0
   11.6577    5.5093   -1.0260 H   0  0  0  0  0
    8.3952    3.4035   -2.6103 H   0  0  0  0  0
    8.9761    3.3276   -5.0476 H   0  0  0  0  0
   10.6980    3.5555   -5.3963 H   0  0  0  0  0
    9.5864    4.9366   -5.4776 H   0  0  0  0  0
  1  2  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  2  3  1  0  0  0
  2 26  1  0  0  0
  2 27  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 28  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 29  1  0  0  0
  9 10  2  0  0  0
  9 30  1  0  0  0
 10 11  1  0  0  0
 10 31  1  0  0  0
 11 16  1  0  0  0
 11 12  2  0  0  0
 12 13  1  0  0  0
 13 14  1  0  0  0
 13 32  1  0  0  0
 13 33  1  0  0  0
 14 15  1  0  0  0
 14 34  1  0  0  0
 14 35  1  0  0  0
 15 16  1  0  0  0
 15 36  1  0  0  0
 15 37  1  0  0  0
 16 17  1  0  0  0
 16 38  1  0  0  0
 17 18  2  0  0  0
 17 21  1  0  0  0
 18 19  1  0  0  0
 18 39  1  0  0  0
 19 20  2  0  0  0
 20 21  1  0  0  0
 20 22  1  0  0  0
 21 40  1  0  0  0
 22 41  1  0  0  0
 22 42  1  0  0  0
 22 43  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL320765

>  <PubChem CID>
9923051

>  <Formula>
C16H21N3O2S

>  <Molecular Weight>
319.423000

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

>  <XlogP>
2.5

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCS(=O)(=O)NC1=CC=CC2=C1CCCC2C3=CN=C(N3)C

>  <Isomeric SMILES>
CCS(=O)(=O)NC1=CC=CC2=C1CCCC2C3=CN=C(N3)C

>  <InChI Std. ID>
InChI=1S/C16H21N3O2S/c1-3-22(20,21)19-15-9-5-6-12-13(15)7-4-8-14(12)16-10-17-11(2)18-16/h5-6,9-10,14,19H,3-4,7-8H2,1-2H3,(H,17,18)

>  <InChI Key>
KARRRKRAFOPOBM-UHFFFAOYSA-N

