
 SCHEMBL7098572

 35 37  0  0  0  0  0  0  0  0999 V2000
    2.6562    0.1947    2.5021 C   0  0  0  0  0
    2.8241    1.9609    2.3592 S   0  0  0  0  0
    1.5156    2.5432    2.5714 O   0  0  0  0  0
    3.9692    2.3936    3.1280 O   0  0  0  0  0
    3.1250    2.1355    0.7031 N   0  0  0  0  0
    4.4899    2.2266    0.2925 C   0  0  0  0  0
    5.1540    1.0316    0.0086 C   0  0  0  0  0
    6.5039    1.0426   -0.3257 C   0  0  0  0  0
    7.1998    2.2498   -0.3598 C   0  0  0  0  0
    6.5526    3.4637   -0.0751 C   0  0  0  0  0
    5.1735    3.4539    0.2422 C   0  0  0  0  0
    4.5103    4.7626    0.6045 C   0  0  0  0  0
    5.1223    5.9466   -0.1472 C   0  0  0  0  0
    6.6198    5.8964   -0.1628 C   0  0  0  0  0
    7.3137    4.7438   -0.0981 C   0  0  0  0  0
    8.7253    4.8607   -0.0813 C   0  0  0  0  0
    9.7250    4.9303   -1.0263 C   0  0  0  0  0
   10.9572    5.0268   -0.4276 N   0  0  0  0  0
   10.7156    5.0200    0.8638 C   0  0  0  0  0
    9.3788    4.9129    1.1243 N   0  0  0  0  0
    3.6191   -0.2755    2.2980 H   0  0  0  0  0
    1.8930   -0.1484    1.8012 H   0  0  0  0  0
    2.3477   -0.0318    3.5250 H   0  0  0  0  0
    2.4943    2.8380    0.3150 H   0  0  0  0  0
    4.6215    0.0854    0.0351 H   0  0  0  0  0
    7.0182    0.1127   -0.5538 H   0  0  0  0  0
    8.2569    2.2305   -0.6180 H   0  0  0  0  0
    4.6228    4.9132    1.6859 H   0  0  0  0  0
    3.4379    4.7449    0.3859 H   0  0  0  0  0
    4.7906    6.8773    0.3272 H   0  0  0  0  0
    4.7637    5.9693   -1.1838 H   0  0  0  0  0
    7.1346    6.8528   -0.2314 H   0  0  0  0  0
    9.6233    4.9116   -2.1035 H   0  0  0  0  0
   11.4566    5.0877    1.6490 H   0  0  0  0  0
    8.9475    4.8846    2.0380 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 11  2  0  0  0
 10 15  1  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  2  0  0  0
 14 32  1  0  0  0
 15 16  1  0  0  0
 16 17  2  0  0  0
 16 20  1  0  0  0
 17 18  1  0  0  0
 17 33  1  0  0  0
 18 19  2  0  0  0
 19 20  1  0  0  0
 19 34  1  0  0  0
 20 35  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL7098572

>  <PubChem CID>
9922027

>  <Formula>
C14H15N3O2S

>  <Molecular Weight>
289.353000

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

>  <XlogP>
1.3

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CS(=O)(=O)NC1=CC=CC2=C1CCC=C2C3=CN=CN3

>  <Isomeric SMILES>
CS(=O)(=O)NC1=CC=CC2=C1CCC=C2C3=CN=CN3

>  <InChI Std. ID>
InChI=1S/C14H15N3O2S/c1-20(18,19)17-13-7-3-4-10-11(13)5-2-6-12(10)14-8-15-9-16-14/h3-4,6-9,17H,2,5H2,1H3,(H,15,16)

>  <InChI Key>
JIJRXPOQLAUOTO-UHFFFAOYSA-N

