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

 40 42  0  0  0  0  0  0  0  0999 V2000
    1.9998    1.7332    3.1080 C   0  0  0  0  0
    2.6483    2.0516    1.7749 C   0  0  0  0  0
    4.2932    1.3586    1.6764 S   0  0  0  0  0
    5.1531    2.0350    2.6223 O   0  0  0  0  0
    4.1712   -0.0842    1.6681 O   0  0  0  0  0
    4.7295    1.7636    0.0900 N   0  0  0  0  0
    5.5628    2.9101   -0.0899 C   0  0  0  0  0
    4.9244    4.1321   -0.3156 C   0  0  0  0  0
    5.6710    5.2963   -0.4573 C   0  0  0  0  0
    7.0579    5.2417   -0.3598 C   0  0  0  0  0
    7.7199    4.0219   -0.1205 C   0  0  0  0  0
    6.9673    2.8322    0.0069 C   0  0  0  0  0
    7.6473    1.5201    0.3332 C   0  0  0  0  0
    9.1517    1.5076    0.0799 C   0  0  0  0  0
    9.7992    2.7674    0.6385 C   0  0  0  0  0
    9.2411    4.0323   -0.0332 C   0  0  0  0  0
    9.8895    4.2643   -1.3700 C   0  0  0  0  0
   11.0376    4.9442   -1.7208 C   0  0  0  0  0
   11.2475    4.8917   -3.0741 N   0  0  0  0  0
   10.2442    4.1951   -3.5539 C   0  0  0  0  0
    9.3936    3.7963   -2.5644 N   0  0  0  0  0
    0.9955    2.1645    3.1562 H   0  0  0  0  0
    2.5870    2.1396    3.9379 H   0  0  0  0  0
    1.9158    0.6520    3.2577 H   0  0  0  0  0
    2.7342    3.1341    1.6486 H   0  0  0  0  0
    2.0601    1.6310    0.9542 H   0  0  0  0  0
    5.0347    0.9179   -0.3935 H   0  0  0  0  0
    3.8421    4.1825   -0.3917 H   0  0  0  0  0
    5.1749    6.2466   -0.6373 H   0  0  0  0  0
    7.6323    6.1612   -0.4684 H   0  0  0  0  0
    7.4716    1.2998    1.3929 H   0  0  0  0  0
    7.2041    0.7077   -0.2535 H   0  0  0  0  0
    9.5918    0.6211    0.5510 H   0  0  0  0  0
    9.3506    1.4209   -0.9943 H   0  0  0  0  0
   10.8884    2.7095    0.5233 H   0  0  0  0  0
    9.6004    2.8143    1.7179 H   0  0  0  0  0
    9.5220    4.8752    0.6153 H   0  0  0  0  0
   11.7252    5.4677   -1.0686 H   0  0  0  0  0
   10.0807    3.9518   -4.5951 H   0  0  0  0  0
    8.5440    3.2629   -2.6903 H   0  0  0  0  0
  1  2  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  2  3  1  0  0  0
  2 25  1  0  0  0
  2 26  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 27  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 28  1  0  0  0
  9 10  2  0  0  0
  9 29  1  0  0  0
 10 11  1  0  0  0
 10 30  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 31  1  0  0  0
 13 32  1  0  0  0
 14 15  1  0  0  0
 14 33  1  0  0  0
 14 34  1  0  0  0
 15 16  1  0  0  0
 15 35  1  0  0  0
 15 36  1  0  0  0
 16 17  1  0  0  0
 16 37  1  0  0  0
 17 18  2  0  0  0
 17 21  1  0  0  0
 18 19  1  0  0  0
 18 38  1  0  0  0
 19 20  2  0  0  0
 20 21  1  0  0  0
 20 39  1  0  0  0
 21 40  1  0  0  0
M  END

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

>  <PubChem CID>
9926529

>  <Formula>
C15H19N3O2S

>  <Molecular Weight>
305.396000

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

>  <XlogP>
2.1

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

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

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

>  <InChI Std. ID>
InChI=1S/C15H19N3O2S/c1-2-21(19,20)18-14-8-4-5-11-12(14)6-3-7-13(11)15-9-16-10-17-15/h4-5,8-10,13,18H,2-3,6-7H2,1H3,(H,16,17)

>  <InChI Key>
DWUSTUPZNLOYSI-UHFFFAOYSA-N

