
 CHEMBL350581

 48 50  0  0  0  0  0  0  0  0999 V2000
    2.7228    3.6926   -3.6504 C   0  0  0  0  0
    3.0099    4.1284   -1.9497 S   0  0  0  0  0
    4.0844    5.0930   -1.8787 O   0  0  0  0  0
    1.7232    4.4008   -1.3462 O   0  0  0  0  0
    3.5074    2.6455   -1.3014 N   0  0  0  0  0
    4.9078    2.3972   -1.2489 C   0  0  0  0  0
    5.6622    2.8753   -0.1795 C   0  0  0  0  0
    7.0428    2.6595   -0.1492 C   0  0  0  0  0
    7.6676    1.9745   -1.1929 C   0  0  0  0  0
    6.9029    1.4913   -2.2565 C   0  0  0  0  0
    5.5244    1.7159   -2.2951 C   0  0  0  0  0
    9.0031    1.6795   -1.2370 O   0  0  0  0  0
    9.8612    2.7033   -0.7143 C   0  0  0  0  0
   11.3372    2.3056   -0.9420 C   0  0  0  0  0
   11.6716    2.1240   -2.4505 C   0  0  0  0  0
   11.8477    3.4287   -3.1351 N   0  0  0  0  0
   12.7899    4.3282   -2.4435 C   0  0  0  0  0
   12.3770    4.5044   -0.9675 C   0  0  0  0  0
   12.2748    3.2242   -0.2323 N   0  0  0  0  0
   12.0133    3.2665   -4.5243 C   0  0  0  0  0
   10.9092    2.8658   -5.2961 C   0  0  0  0  0
   11.0155    2.6615   -6.6751 C   0  0  0  0  0
   12.2363    2.8517   -7.3126 C   0  0  0  0  0
   13.3424    3.2567   -6.5724 C   0  0  0  0  0
   13.2289    3.4677   -5.1933 C   0  0  0  0  0
    2.0031    2.8726   -3.6898 H   0  0  0  0  0
    3.6693    3.4107   -4.1133 H   0  0  0  0  0
    2.3125    4.5695   -4.1569 H   0  0  0  0  0
    3.0114    2.4966   -0.4210 H   0  0  0  0  0
    5.1919    3.4271    0.6303 H   0  0  0  0  0
    7.6012    3.0243    0.7069 H   0  0  0  0  0
    7.3853    0.9469   -3.0644 H   0  0  0  0  0
    4.9432    1.3396   -3.1304 H   0  0  0  0  0
    9.7058    2.7955    0.3674 H   0  0  0  0  0
    9.6312    3.6599   -1.1989 H   0  0  0  0  0
   11.4610    1.3160   -0.4826 H   0  0  0  0  0
   10.8890    1.5223   -2.9282 H   0  0  0  0  0
   12.6079    1.5541   -2.5311 H   0  0  0  0  0
   13.8087    3.9224   -2.4726 H   0  0  0  0  0
   12.7932    5.3133   -2.9263 H   0  0  0  0  0
   13.1196    5.1313   -0.4623 H   0  0  0  0  0
   11.4252    5.0440   -0.9039 H   0  0  0  0  0
   13.1974    2.7875   -0.2504 H   0  0  0  0  0
    9.9430    2.7281   -4.8148 H   0  0  0  0  0
   10.1429    2.3557   -7.2445 H   0  0  0  0  0
   12.3249    2.6892   -8.3825 H   0  0  0  0  0
   14.3002    3.4060   -7.0643 H   0  0  0  0  0
   14.1227    3.7674   -4.6561 H   0  0  0  0  0
  1  2  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  1 28  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 29  1  0  0  0
  6  7  2  0  0  0
  6 11  1  0  0  0
  7  8  1  0  0  0
  7 30  1  0  0  0
  8  9  2  0  0  0
  8 31  1  0  0  0
  9 10  1  0  0  0
  9 12  1  0  0  0
 10 11  2  0  0  0
 10 32  1  0  0  0
 11 33  1  0  0  0
 12 13  1  0  0  0
 13 14  1  0  0  0
 13 34  1  0  0  0
 13 35  1  0  0  0
 14 19  1  0  0  0
 14 15  1  0  0  0
 14 36  1  0  0  0
 15 16  1  0  0  0
 15 37  1  0  0  0
 15 38  1  0  0  0
 16 17  1  0  0  0
 16 20  1  0  0  0
 17 18  1  0  0  0
 17 39  1  0  0  0
 17 40  1  0  0  0
 18 19  1  0  0  0
 18 41  1  0  0  0
 18 42  1  0  0  0
 19 43  1  0  0  0
 20 21  2  0  0  0
 20 25  1  0  0  0
 21 22  1  0  0  0
 21 44  1  0  0  0
 22 23  2  0  0  0
 22 45  1  0  0  0
 23 24  1  0  0  0
 23 46  1  0  0  0
 24 25  2  0  0  0
 24 47  1  0  0  0
 25 48  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL350581

>  <PubChem CID>
14998851

>  <Formula>
C18H23N3O3S

>  <Molecular Weight>
361.460000

>  <IUPAC Name>
N-[4-[(4-phenylpiperazin-2-yl)methoxy]phenyl]methanesulfonamide

>  <XlogP>
2.1

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CS(=O)(=O)NC1=CC=C(C=C1)OCC2CN(CCN2)C3=CC=CC=C3

>  <Isomeric SMILES>
CS(=O)(=O)NC1=CC=C(C=C1)OCC2CN(CCN2)C3=CC=CC=C3

>  <InChI Std. ID>
InChI=1S/C18H23N3O3S/c1-25(22,23)20-15-7-9-18(10-8-15)24-14-16-13-21(12-11-19-16)17-5-3-2-4-6-17/h2-10,16,19-20H,11-14H2,1H3

>  <InChI Key>
AOWVAMXBGYCCHV-UHFFFAOYSA-N

