
 SCHEMBL6924367

 56 61  0  0  0  0  0  0  0  0999 V2000
    1.1158    0.0504   -0.3570 C   0  0  0  0  0
    2.5540    0.0112   -0.2167 N   0  0  0  0  0
    3.3395   -1.1025   -0.2666 C   0  0  0  0  0
    4.6596   -0.7230   -0.1052 C   0  0  0  0  0
    5.7621   -1.7547   -0.0789 C   0  0  0  0  0
    5.7527   -2.4847    1.2691 C   0  0  0  0  0
    4.6704   -3.5614    1.1112 C   0  0  0  0  0
    4.2002   -3.4553   -0.3520 C   0  0  0  0  0
    2.9350   -2.5292   -0.4890 C   0  0  0  0  0
    5.3539   -2.8137   -1.0523 N   0  0  0  0  0
    6.4624   -3.7435   -1.3497 C   0  0  0  0  0
    6.1045   -4.6769   -2.5164 C   0  0  0  0  0
    5.6108   -3.9136   -3.6153 O   0  0  0  0  0
    4.6800    0.6847    0.0727 C   0  0  0  0  0
    3.3501    1.1259    0.0017 C   0  0  0  0  0
    3.0055    2.4803    0.1504 C   0  0  0  0  0
    4.0311    3.4023    0.3739 C   0  0  0  0  0
    5.3577    2.9775    0.4347 C   0  0  0  0  0
    5.7022    1.6256    0.3010 C   0  0  0  0  0
    6.6445    4.1706    0.7288 S   0  0  0  0  0
    6.0376    5.3158    1.3839 O   0  0  0  0  0
    7.7520    3.4732    1.3603 O   0  0  0  0  0
    7.1896    4.7006   -0.8796 C   0  0  0  0  0
    8.2290    4.0013   -1.5093 C   0  0  0  0  0
    8.6484    4.4257   -2.7837 C   0  0  0  0  0
    8.0265    5.5309   -3.3670 C   0  0  0  0  0
    7.0010    6.2474   -2.7374 C   0  0  0  0  0
    6.5916    5.8146   -1.4731 C   0  0  0  0  0
    8.6199    5.7260   -4.5948 N   0  0  0  0  0
    9.5923    4.7851   -4.8057 C   0  0  0  0  0
    9.6345    3.9674   -3.6999 C   0  0  0  0  0
    0.7243   -0.9566   -0.5137 H   0  0  0  0  0
    0.8705    0.6771   -1.2184 H   0  0  0  0  0
    0.6913    0.4700    0.5588 H   0  0  0  0  0
    6.7264   -1.2957   -0.3197 H   0  0  0  0  0
    6.7210   -2.9623    1.4601 H   0  0  0  0  0
    5.5357   -1.8236    2.1154 H   0  0  0  0  0
    3.8537   -3.4168    1.8261 H   0  0  0  0  0
    5.1086   -4.5476    1.3047 H   0  0  0  0  0
    3.9384   -4.4401   -0.7521 H   0  0  0  0  0
    2.5273   -2.6270   -1.5024 H   0  0  0  0  0
    2.1635   -2.8329    0.2265 H   0  0  0  0  0
    6.7809   -4.3366   -0.4862 H   0  0  0  0  0
    7.3231   -3.1443   -1.6731 H   0  0  0  0  0
    5.3381   -5.4040   -2.2321 H   0  0  0  0  0
    6.9883   -5.2292   -2.8496 H   0  0  0  0  0
    5.1518   -3.1529   -3.2014 H   0  0  0  0  0
    1.9722    2.8100    0.1018 H   0  0  0  0  0
    3.7784    4.4530    0.5026 H   0  0  0  0  0
    6.7365    1.3012    0.3715 H   0  0  0  0  0
    8.7060    3.1491   -1.0336 H   0  0  0  0  0
    6.5392    7.1102   -3.2073 H   0  0  0  0  0
    5.8020    6.3592   -0.9587 H   0  0  0  0  0
    8.3698    6.4606   -5.2425 H   0  0  0  0  0
   10.1695    4.7789   -5.7206 H   0  0  0  0  0
   10.3024    3.1269   -3.5628 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  3  1  0  0  0
  2 15  1  0  0  0
  3  4  2  0  0  0
  3  9  1  0  0  0
  4  5  1  0  0  0
  4 14  1  0  0  0
  5  6  1  0  0  0
  5 10  1  0  0  0
  5 35  1  0  0  0
  6  7  1  0  0  0
  6 36  1  0  0  0
  6 37  1  0  0  0
  7  8  1  0  0  0
  7 38  1  0  0  0
  7 39  1  0  0  0
  8  9  1  0  0  0
  8 10  1  0  0  0
  8 40  1  0  0  0
  9 41  1  0  0  0
  9 42  1  0  0  0
 10 11  1  0  0  0
 11 12  1  0  0  0
 11 43  1  0  0  0
 11 44  1  0  0  0
 12 13  1  0  0  0
 12 45  1  0  0  0
 12 46  1  0  0  0
 13 47  1  0  0  0
 14 15  2  0  0  0
 14 19  1  0  0  0
 15 16  1  0  0  0
 16 17  2  0  0  0
 16 48  1  0  0  0
 17 18  1  0  0  0
 17 49  1  0  0  0
 18 19  2  0  0  0
 18 20  1  0  0  0
 19 50  1  0  0  0
 20 23  1  0  0  0
 20 22  2  0  0  0
 20 21  2  0  0  0
 23 28  1  0  0  0
 23 24  2  0  0  0
 24 25  1  0  0  0
 24 51  1  0  0  0
 25 26  2  0  0  0
 25 31  1  0  0  0
 26 27  1  0  0  0
 26 29  1  0  0  0
 27 28  2  0  0  0
 27 52  1  0  0  0
 28 53  1  0  0  0
 29 30  1  0  0  0
 29 54  1  0  0  0
 30 31  2  0  0  0
 30 55  1  0  0  0
 31 56  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL6924367

>  <PubChem CID>
58258875

>  <Formula>
C24H25N3O3S

>  <Molecular Weight>
435.542000

>  <IUPAC Name>


>  <XlogP>
2.7

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CN1C2=C(C3CCC(C2)N3CCO)C4=C1C=CC(=C4)S(=O)(=O)C5=CC6=C(C=C5)NC=C6

>  <Isomeric SMILES>
CN1C2=C(C3CCC(C2)N3CCO)C4=C1C=CC(=C4)S(=O)(=O)C5=CC6=C(C=C5)NC=C6

>  <InChI Std. ID>
InChI=1S/C24H25N3O3S/c1-26-21-7-4-18(31(29,30)17-3-5-20-15(12-17)8-9-25-20)14-19(21)24-22-6-2-16(13-23(24)26)27(22)10-11-28/h3-5,7-9,12,14,16,22,25,28H,2,6,10-11,13H2,1H3

>  <InChI Key>
AGWMWURSZACDEW-UHFFFAOYSA-N

