
 CHEMBL419369

 41 42  0  0  0  0  0  0  0  0999 V2000
    1.7724    1.1203    2.7020 C   0  0  0  0  0
    2.4591    1.4899    1.4017 C   0  0  0  0  0
    4.2315    1.2988    1.5281 S   0  0  0  0  0
    4.7282    2.2149    2.5313 O   0  0  0  0  0
    4.5277   -0.1171    1.5789 O   0  0  0  0  0
    4.7038    1.7976   -0.0262 N   0  0  0  0  0
    5.5229    2.9703   -0.0886 C   0  0  0  0  0
    4.8713    4.2042   -0.1483 C   0  0  0  0  0
    5.6062    5.3836   -0.1143 C   0  0  0  0  0
    6.9931    5.3299   -0.0067 C   0  0  0  0  0
    7.6676    4.0964    0.0606 C   0  0  0  0  0
    6.9275    2.8938    0.0147 C   0  0  0  0  0
    7.6131    1.5536    0.1700 C   0  0  0  0  0
    9.1323    1.5900    0.0340 C   0  0  0  0  0
    9.7044    2.7901    0.7715 C   0  0  0  0  0
    9.1894    4.1073    0.1672 C   0  0  0  0  0
    9.7975    4.4460   -1.2213 C   0  0  0  0  0
   11.2607    4.5606   -1.1989 N   0  0  0  0  0
   11.7683    4.9604   -2.5060 C   0  0  0  0  0
    0.6874    1.2045    2.5965 H   0  0  0  0  0
    2.0891    1.7823    3.5134 H   0  0  0  0  0
    2.0106    0.0933    2.9970 H   0  0  0  0  0
    2.2526    2.5330    1.1486 H   0  0  0  0  0
    2.1164    0.8414    0.5902 H   0  0  0  0  0
    5.0871    0.9881   -0.5167 H   0  0  0  0  0
    3.7887    4.2520   -0.2133 H   0  0  0  0  0
    5.1001    6.3444   -0.1550 H   0  0  0  0  0
    7.5546    6.2625    0.0364 H   0  0  0  0  0
    7.3636    1.1616    1.1639 H   0  0  0  0  0
    7.2290    0.8459   -0.5737 H   0  0  0  0  0
    9.5555    0.6621    0.4373 H   0  0  0  0  0
    9.4140    1.6235   -1.0249 H   0  0  0  0  0
   10.7983    2.7488    0.7674 H   0  0  0  0  0
    9.4046    2.7341    1.8270 H   0  0  0  0  0
    9.4731    4.9063    0.8677 H   0  0  0  0  0
    9.3809    5.4036   -1.5609 H   0  0  0  0  0
    9.4928    3.6949   -1.9611 H   0  0  0  0  0
   11.6712    3.6613   -0.9517 H   0  0  0  0  0
   11.3879    5.9456   -2.7940 H   0  0  0  0  0
   11.5020    4.2324   -3.2793 H   0  0  0  0  0
   12.8599    5.0271   -2.4680 H   0  0  0  0  0
  1  2  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  2  3  1  0  0  0
  2 23  1  0  0  0
  2 24  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 25  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 26  1  0  0  0
  9 10  2  0  0  0
  9 27  1  0  0  0
 10 11  1  0  0  0
 10 28  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 29  1  0  0  0
 13 30  1  0  0  0
 14 15  1  0  0  0
 14 31  1  0  0  0
 14 32  1  0  0  0
 15 16  1  0  0  0
 15 33  1  0  0  0
 15 34  1  0  0  0
 16 17  1  0  0  0
 16 35  1  0  0  0
 17 18  1  0  0  0
 17 36  1  0  0  0
 17 37  1  0  0  0
 18 19  1  0  0  0
 18 38  1  0  0  0
 19 39  1  0  0  0
 19 40  1  0  0  0
 19 41  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL419369

>  <PubChem CID>
11173600

>  <Formula>
C14H22N2O2S

>  <Molecular Weight>
282.402000

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

>  <XlogP>
1.8

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCS(=O)(=O)NC1=CC=CC2=C1CCCC2CNC

>  <Isomeric SMILES>
CCS(=O)(=O)NC1=CC=CC2=C1CCCC2CNC

>  <InChI Std. ID>
InChI=1S/C14H22N2O2S/c1-3-19(17,18)16-14-9-5-7-12-11(10-15-2)6-4-8-13(12)14/h5,7,9,11,15-16H,3-4,6,8,10H2,1-2H3

>  <InChI Key>
IPANLOHNIGPZNM-UHFFFAOYSA-N

