
 SCHEMBL8856947

 43 45  0  0  0  0  0  0  0  0999 V2000
    2.8913   -0.0218   -0.5534 C   0  0  0  0  0
    2.5093    1.2879   -0.9575 O   0  0  0  0  0
    3.3205    2.3223   -0.5599 C   0  0  0  0  0
    2.8473    3.6177   -0.8578 C   0  0  0  0  0
    3.5929    4.7643   -0.5174 C   0  0  0  0  0
    4.8491    4.5965    0.1021 C   0  0  0  0  0
    5.3108    3.3009    0.3917 C   0  0  0  0  0
    4.5547    2.1742    0.0668 C   0  0  0  0  0
    5.7107    5.7814    0.5149 C   0  0  0  0  0
    5.3235    7.0710   -0.2228 C   0  0  0  0  0
    3.8176    7.2817   -0.1880 C   0  0  0  0  0
    3.1035    6.1399   -0.9031 C   0  0  0  0  0
    5.7123    6.0223    2.0246 C   0  0  0  0  0
    6.5515    6.8715    2.5680 N   0  0  0  0  0
    6.2242    6.8341    4.0234 C   0  0  0  0  0
    4.8923    6.0892    4.1528 C   0  0  0  0  0
    4.8419    5.4036    2.8889 N   0  0  0  0  0
    1.5429    3.7486   -1.4701 N   0  0  0  0  0
    0.2341    3.7337   -0.3746 S   0  0  0  0  0
   -0.5569    2.5644   -0.7065 O   0  0  0  0  0
    0.6904    3.9964    0.9743 O   0  0  0  0  0
   -0.6707    5.1574   -0.9315 C   0  0  0  0  0
    2.1128   -0.7154   -0.8847 H   0  0  0  0  0
    2.9639   -0.0980    0.5369 H   0  0  0  0  0
    3.8286   -0.3208   -1.0341 H   0  0  0  0  0
    6.2713    3.1658    0.8884 H   0  0  0  0  0
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    6.7511    5.5577    0.2395 H   0  0  0  0  0
    5.8258    7.9426    0.2122 H   0  0  0  0  0
    5.6526    7.0078   -1.2686 H   0  0  0  0  0
    3.5584    8.2319   -0.6688 H   0  0  0  0  0
    3.4711    7.3477    0.8507 H   0  0  0  0  0
    3.2351    6.2540   -1.9864 H   0  0  0  0  0
    2.0387    6.2399   -0.6863 H   0  0  0  0  0
    7.0267    6.3060    4.5509 H   0  0  0  0  0
    6.1518    7.8492    4.4255 H   0  0  0  0  0
    4.0568    6.7911    4.2379 H   0  0  0  0  0
    4.8809    5.4017    5.0025 H   0  0  0  0  0
    3.9471    5.0773    2.5371 H   0  0  0  0  0
    1.3835    2.9415   -2.0857 H   0  0  0  0  0
   -0.1212    6.0655   -0.6790 H   0  0  0  0  0
   -1.6349    5.1685   -0.4152 H   0  0  0  0  0
   -0.8336    5.0863   -2.0093 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
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 18  1  0  0  0
  5 12  1  0  0  0
  5  6  2  0  0  0
  6  7  1  0  0  0
  6  9  1  0  0  0
  7  8  2  0  0  0
  7 26  1  0  0  0
  8 27  1  0  0  0
  9 10  1  0  0  0
  9 13  1  0  0  0
  9 28  1  0  0  0
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 22 43  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL8856947

>  <PubChem CID>
19968568

>  <Formula>
C15H21N3O3S

>  <Molecular Weight>
323.411000

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

>  <XlogP>
0.7

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
COC1=C(C2=C(C=C1)C(CCC2)C3=NCCN3)NS(=O)(=O)C

>  <Isomeric SMILES>
COC1=C(C2=C(C=C1)C(CCC2)C3=NCCN3)NS(=O)(=O)C

>  <InChI Std. ID>
InChI=1S/C15H21N3O3S/c1-21-13-7-6-10-11(14(13)18-22(2,19)20)4-3-5-12(10)15-16-8-9-17-15/h6-7,12,18H,3-5,8-9H2,1-2H3,(H,16,17)

>  <InChI Key>
FFEGDIRNHJDART-UHFFFAOYSA-N

