
 1-[(4-fluorophenyl)sulfonyl]-4-[(2E)-3-phenylprop-2-enoyl]piperazine

 45 47  0  0  0  0  0  0  0  0999 V2000
    0.5768    1.1184   -0.9317 C   0  0  0  0  0
   -0.6792    0.9552   -0.0614 C   0  0  0  0  0
   -1.2036   -0.4570   -0.1760 N   0  0  0  0  0
   -0.1391   -1.4521    0.2008 C   0  0  0  0  0
    1.1106   -1.2504   -0.6795 C   0  0  0  0  0
    1.5951    0.1311   -0.5639 N   0  0  0  0  0
    2.5490    0.5200    0.3672 C   0  0  0  0  0
    2.5694    1.6318    0.8870 O   0  0  0  0  0
    3.5933   -0.4838    0.6864 C   0  0  0  0  0
    4.2015   -0.4554    1.8803 C   0  0  0  0  0
    5.2765   -1.3917    2.1995 C   0  0  0  0  0
    6.6082   -1.0146    1.9976 C   0  0  0  0  0
    7.6418   -1.9088    2.2813 C   0  0  0  0  0
    7.3487   -3.1824    2.7670 C   0  0  0  0  0
    6.0225   -3.5635    2.9700 C   0  0  0  0  0
    4.9869   -2.6708    2.6859 C   0  0  0  0  0
   -2.6914   -0.6595    0.6442 S   0  0  0  0  0
   -2.3924   -0.7927    2.0538 O   0  0  0  0  0
   -3.6172    0.3392    0.1566 O   0  0  0  0  0
   -3.2595   -2.2312    0.0403 C   0  0  0  0  0
   -3.5182   -2.3774   -1.3282 C   0  0  0  0  0
   -3.9647   -3.6073   -1.8118 C   0  0  0  0  0
   -4.1513   -4.6665   -0.9273 C   0  0  0  0  0
   -3.9013   -4.5217    0.4350 C   0  0  0  0  0
   -3.4530   -3.2957    0.9280 C   0  0  0  0  0
   -4.5797   -5.8459   -1.3951 F   0  0  0  0  0
    0.3293    0.9525   -1.9872 H   0  0  0  0  0
    0.9717    2.1357   -0.8413 H   0  0  0  0  0
   -1.4385    1.6607   -0.4138 H   0  0  0  0  0
   -0.4479    1.1741    0.9876 H   0  0  0  0  0
    0.1271   -1.3245    1.2567 H   0  0  0  0  0
   -0.5062   -2.4711    0.0488 H   0  0  0  0  0
    1.8740   -1.9768   -0.3932 H   0  0  0  0  0
    0.8634   -1.4227   -1.7338 H   0  0  0  0  0
    3.8817   -1.1837   -0.0875 H   0  0  0  0  0
    3.9411    0.2729    2.6443 H   0  0  0  0  0
    6.8477   -0.0235    1.6183 H   0  0  0  0  0
    8.6751   -1.6104    2.1240 H   0  0  0  0  0
    8.1546   -3.8772    2.9896 H   0  0  0  0  0
    5.7957   -4.5554    3.3522 H   0  0  0  0  0
    3.9575   -2.9782    2.8521 H   0  0  0  0  0
   -3.3786   -1.5405   -2.0093 H   0  0  0  0  0
   -4.1750   -3.7466   -2.8678 H   0  0  0  0  0
   -4.0636   -5.3628    1.1024 H   0  0  0  0  0
   -3.2661   -3.1774    1.9931 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2  3  1  0  0  0
  2 29  1  0  0  0
  2 30  1  0  0  0
  3  4  1  0  0  0
  3 17  1  0  0  0
  4  5  1  0  0  0
  4 31  1  0  0  0
  4 32  1  0  0  0
  5  6  1  0  0  0
  5 33  1  0  0  0
  5 34  1  0  0  0
  6  7  1  0  0  0
  7  9  1  0  0  0
  7  8  2  0  0  0
  9 10  2  0  0  0
  9 35  1  0  0  0
 10 11  1  0  0  0
 10 36  1  0  0  0
 11 12  2  0  0  0
 11 16  1  0  0  0
 12 13  1  0  0  0
 12 37  1  0  0  0
 13 14  2  0  0  0
 13 38  1  0  0  0
 14 15  1  0  0  0
 14 39  1  0  0  0
 15 16  2  0  0  0
 15 40  1  0  0  0
 16 41  1  0  0  0
 17 20  1  0  0  0
 17 19  2  0  0  0
 17 18  2  0  0  0
 20 21  2  0  0  0
 20 25  1  0  0  0
 21 22  1  0  0  0
 21 42  1  0  0  0
 22 23  2  0  0  0
 22 43  1  0  0  0
 23 24  1  0  0  0
 23 26  1  0  0  0
 24 25  2  0  0  0
 24 44  1  0  0  0
 25 45  1  0  0  0
M  END

>  <Chemical Name>
1-[(4-fluorophenyl)sulfonyl]-4-[(2E)-3-phenylprop-2-enoyl]piperazine

>  <PubChem CID>
6258671

>  <Formula>
C19H19FN2O3S

>  <Molecular Weight>
374.430000

>  <IUPAC Name>
(E)-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-phenylprop-2-en-1-one

>  <XlogP>
2.5

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CN(CCN1C(=O)C=CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)F

>  <Isomeric SMILES>
C1CN(CCN1C(=O)/C=C/C2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)F

>  <InChI Std. ID>
InChI=1S/C19H19FN2O3S/c20-17-7-9-18(10-8-17)26(24,25)22-14-12-21(13-15-22)19(23)11-6-16-4-2-1-3-5-16/h1-11H,12-15H2/b11-6+

>  <InChI Key>
NNXVAJWZJWSQHU-IZZDOVSWSA-N

