
 CHEMBL246584

 64 67  0  0  0  0  0  0  0  0999 V2000
    1.5623    2.0606   -4.8656 C   0  0  0  0  0
    2.1213    2.9317   -3.7395 C   0  0  0  0  0
    1.0214    3.2175   -2.7114 C   0  0  0  0  0
    3.3327    2.2783   -3.0358 C   0  0  0  0  0
    4.4642    1.9196   -3.9105 N   0  0  0  0  0
    5.0689    3.0494   -4.6278 C   0  0  0  0  0
    5.8562    4.0066   -3.7325 C   0  0  0  0  0
    6.9113    3.2737   -2.9004 C   0  0  0  0  0
    6.3249    2.0347   -2.2178 C   0  0  0  0  0
    5.4985    1.1731   -3.1760 C   0  0  0  0  0
    8.0753    2.9205   -3.7077 N   0  0  0  0  0
    9.2602    3.6301   -3.6734 C   0  0  0  0  0
    9.4593    4.5813   -2.9232 O   0  0  0  0  0
   10.3675    3.0455   -4.5517 C   0  0  0  0  0
   11.1194    1.9535   -3.7831 C   0  0  0  0  0
   11.4325    0.9078   -4.8309 C   0  0  0  0  0
   10.1812    0.9135   -5.6841 C   0  0  0  0  0
    9.7765    2.3513   -5.7643 N   0  0  0  0  0
   10.1939    3.0704   -7.2639 S   0  0  0  0  0
   11.6304    3.2622   -7.2629 O   0  0  0  0  0
    9.5436    2.3054   -8.3042 O   0  0  0  0  0
    9.4039    4.6548   -7.2208 C   0  0  0  0  0
   10.1679    5.8187   -7.3444 C   0  0  0  0  0
    9.5346    7.0678   -7.4371 C   0  0  0  0  0
   10.2739    8.2507   -7.5977 C   0  0  0  0  0
    9.6304    9.4835   -7.7188 C   0  0  0  0  0
    8.2411    9.5504   -7.6755 C   0  0  0  0  0
    7.4909    8.3851   -7.5093 C   0  0  0  0  0
    8.1208    7.1358   -7.3912 C   0  0  0  0  0
    7.3747    5.9533   -7.2491 C   0  0  0  0  0
    8.0105    4.7133   -7.1742 C   0  0  0  0  0
    2.2991    1.9180   -5.6622 H   0  0  0  0  0
    0.6808    2.5303   -5.3156 H   0  0  0  0  0
    1.2656    1.0737   -4.4948 H   0  0  0  0  0
    2.4209    3.8974   -4.1627 H   0  0  0  0  0
    0.6434    2.2920   -2.2637 H   0  0  0  0  0
    0.1780    3.7366   -3.1790 H   0  0  0  0  0
    1.3988    3.8552   -1.9049 H   0  0  0  0  0
    2.9723    1.3592   -2.5530 H   0  0  0  0  0
    3.6606    2.9398   -2.2251 H   0  0  0  0  0
    4.3163    3.6063   -5.1951 H   0  0  0  0  0
    5.7417    2.6429   -5.3946 H   0  0  0  0  0
    6.3268    4.7804   -4.3501 H   0  0  0  0  0
    5.1624    4.5251   -3.0594 H   0  0  0  0  0
    7.2551    3.9571   -2.1147 H   0  0  0  0  0
    7.1261    1.4263   -1.7805 H   0  0  0  0  0
    5.6914    2.3556   -1.3816 H   0  0  0  0  0
    6.1696    0.7009   -3.9050 H   0  0  0  0  0
    5.0458    0.3403   -2.6233 H   0  0  0  0  0
    7.9761    2.2682   -4.4807 H   0  0  0  0  0
   11.0448    3.8549   -4.8417 H   0  0  0  0  0
   10.5026    1.5165   -2.9882 H   0  0  0  0  0
   12.0278    2.3428   -3.3124 H   0  0  0  0  0
   12.3030    1.2123   -5.4233 H   0  0  0  0  0
   11.6393   -0.0754   -4.3995 H   0  0  0  0  0
   10.3523    0.4528   -6.6608 H   0  0  0  0  0
    9.3683    0.3609   -5.1984 H   0  0  0  0  0
   11.2530    5.7549   -7.4043 H   0  0  0  0  0
   11.3607    8.2207   -7.6400 H   0  0  0  0  0
   10.2149   10.3904   -7.8517 H   0  0  0  0  0
    7.7395   10.5097   -7.7753 H   0  0  0  0  0
    6.4060    8.4596   -7.4838 H   0  0  0  0  0
    6.2876    5.9910   -7.2224 H   0  0  0  0  0
    7.4196    3.8030   -7.1093 H   0  0  0  0  0
  1  2  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  2 35  1  0  0  0
  3 36  1  0  0  0
  3 37  1  0  0  0
  3 38  1  0  0  0
  4  5  1  0  0  0
  4 39  1  0  0  0
  4 40  1  0  0  0
  5 10  1  0  0  0
  5  6  1  0  0  0
  6  7  1  0  0  0
  6 41  1  0  0  0
  6 42  1  0  0  0
  7  8  1  0  0  0
  7 43  1  0  0  0
  7 44  1  0  0  0
  8  9  1  0  0  0
  8 11  1  0  0  0
  8 45  1  0  0  0
  9 10  1  0  0  0
  9 46  1  0  0  0
  9 47  1  0  0  0
 10 48  1  0  0  0
 10 49  1  0  0  0
 11 12  1  0  0  0
 11 50  1  0  0  0
 12 14  1  0  0  0
 12 13  2  0  0  0
 14 18  1  0  0  0
 14 15  1  0  0  0
 14 51  1  0  0  0
 15 16  1  0  0  0
 15 52  1  0  0  0
 15 53  1  0  0  0
 16 17  1  0  0  0
 16 54  1  0  0  0
 16 55  1  0  0  0
 17 18  1  0  0  0
 17 56  1  0  0  0
 17 57  1  0  0  0
 18 19  1  0  0  0
 19 22  1  0  0  0
 19 21  2  0  0  0
 19 20  2  0  0  0
 22 31  1  0  0  0
 22 23  2  0  0  0
 23 24  1  0  0  0
 23 58  1  0  0  0
 24 29  1  0  0  0
 24 25  2  0  0  0
 25 26  1  0  0  0
 25 59  1  0  0  0
 26 27  2  0  0  0
 26 60  1  0  0  0
 27 28  1  0  0  0
 27 61  1  0  0  0
 28 29  2  0  0  0
 28 62  1  0  0  0
 29 30  1  0  0  0
 30 31  2  0  0  0
 30 63  1  0  0  0
 31 64  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL246584

>  <PubChem CID>
44440045

>  <Formula>
C24H33N3O3S

>  <Molecular Weight>
443.606000

>  <IUPAC Name>
(2S)-N-[1-(2-methylpropyl)piperidin-4-yl]-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide

>  <XlogP>
4.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC(C)CN1CCC(CC1)NC(=O)C2CCCN2S(=O)(=O)C3=CC4=CC=CC=C4C=C3

>  <Isomeric SMILES>
CC(C)CN1CCC(CC1)NC(=O)[C@@H]2CCCN2S(=O)(=O)C3=CC4=CC=CC=C4C=C3

>  <InChI Std. ID>
InChI=1S/C24H33N3O3S/c1-18(2)17-26-14-11-21(12-15-26)25-24(28)23-8-5-13-27(23)31(29,30)22-10-9-19-6-3-4-7-20(19)16-22/h3-4,6-7,9-10,16,18,21,23H,5,8,11-15,17H2,1-2H3,(H,25,28)/t23-/m0/s1

>  <InChI Key>
AOWXTMWQPFORIG-QHCPKHFHSA-N

