
 CHEMBL341108

 42 45  0  0  0  0  0  0  0  0999 V2000
    2.3264   -1.2008   -1.5193 C   0  0  0  0  0
    3.5263   -0.8242   -0.6557 C   0  0  0  0  0
    3.3281    0.5156   -0.0459 N   0  0  0  0  0
    2.0728    0.6454    0.7383 C   0  0  0  0  0
    0.8631    0.2691   -0.1110 C   0  0  0  0  0
    1.0142   -1.1301   -0.7247 C   0  0  0  0  0
    0.9288   -2.2379    0.3305 C   0  0  0  0  0
   -0.0890   -3.0867    0.1239 C   0  0  0  0  0
   -0.7947   -2.6491   -1.0644 C   0  0  0  0  0
   -1.9087   -3.2045   -1.6682 C   0  0  0  0  0
   -2.4146   -2.5870   -2.8141 C   0  0  0  0  0
   -1.8051   -1.4334   -3.3339 C   0  0  0  0  0
   -0.6781   -0.8811   -2.7191 C   0  0  0  0  0
   -0.1789   -1.5002   -1.5824 C   0  0  0  0  0
    4.7209    1.2073    0.6785 S   0  0  0  0  0
    5.8487    0.9917   -0.2037 O   0  0  0  0  0
    4.3769    2.5327    1.1459 O   0  0  0  0  0
    4.9705    0.1841    2.1217 C   0  0  0  0  0
    4.3755    0.5480    3.3368 C   0  0  0  0  0
    4.5574   -0.2602    4.4593 C   0  0  0  0  0
    5.3439   -1.4044    4.3620 C   0  0  0  0  0
    5.9650   -1.7522    3.1654 C   0  0  0  0  0
    5.7875   -0.9502    2.0370 C   0  0  0  0  0
    5.5096   -2.1819    5.4395 F   0  0  0  0  0
    2.4819   -2.2040   -1.9377 H   0  0  0  0  0
    2.2788   -0.5150   -2.3765 H   0  0  0  0  0
    4.4124   -0.8135   -1.2993 H   0  0  0  0  0
    3.6850   -1.5761    0.1233 H   0  0  0  0  0
    1.9462    1.6822    1.0673 H   0  0  0  0  0
    2.1167    0.0114    1.6289 H   0  0  0  0  0
    0.7479    1.0152   -0.9091 H   0  0  0  0  0
   -0.0444    0.3349    0.5036 H   0  0  0  0  0
    1.6176   -2.3357    1.1589 H   0  0  0  0  0
   -0.3591   -3.9443    0.7184 H   0  0  0  0  0
   -2.3805   -4.0947   -1.2661 H   0  0  0  0  0
   -3.2894   -3.0024   -3.3086 H   0  0  0  0  0
   -2.2160   -0.9660   -4.2259 H   0  0  0  0  0
   -0.2119    0.0101   -3.1270 H   0  0  0  0  0
    3.7707    1.4493    3.4132 H   0  0  0  0  0
    4.0965   -0.0049    5.4089 H   0  0  0  0  0
    6.5855   -2.6424    3.1230 H   0  0  0  0  0
    6.2814   -1.2136    1.1040 H   0  0  0  0  0
  1  2  1  0  0  0
  1  6  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  2  3  1  0  0  0
  2 27  1  0  0  0
  2 28  1  0  0  0
  3 15  1  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  4 29  1  0  0  0
  4 30  1  0  0  0
  5  6  1  0  0  0
  5 31  1  0  0  0
  5 32  1  0  0  0
  6  7  1  0  0  0
  6 14  1  0  0  0
  7  8  2  0  0  0
  7 33  1  0  0  0
  8  9  1  0  0  0
  8 34  1  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
 10 11  1  0  0  0
 10 35  1  0  0  0
 11 12  2  0  0  0
 11 36  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
 15 18  1  0  0  0
 15 17  2  0  0  0
 15 16  2  0  0  0
 18 19  2  0  0  0
 18 23  1  0  0  0
 19 20  1  0  0  0
 19 39  1  0  0  0
 20 21  2  0  0  0
 20 40  1  0  0  0
 21 22  1  0  0  0
 21 24  1  0  0  0
 22 23  2  0  0  0
 22 41  1  0  0  0
 23 42  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL341108

>  <PubChem CID>
9997556

>  <Formula>
C19H18FNO2S

>  <Molecular Weight>
343.416000

>  <IUPAC Name>
1'-(4-fluorophenyl)sulfonylspiro[indene-1,4'-piperidine]

>  <XlogP>
3.9

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CN(CCC12C=CC3=CC=CC=C23)S(=O)(=O)C4=CC=C(C=C4)F

>  <Isomeric SMILES>
C1CN(CCC12C=CC3=CC=CC=C23)S(=O)(=O)C4=CC=C(C=C4)F

>  <InChI Std. ID>
InChI=1S/C19H18FNO2S/c20-16-5-7-17(8-6-16)24(22,23)21-13-11-19(12-14-21)10-9-15-3-1-2-4-18(15)19/h1-10H,11-14H2

>  <InChI Key>
CFQNGTXFPLMLDT-UHFFFAOYSA-N

