
 CHEMBL249797

 59 62  0  0  0  0  0  0  0  0999 V2000
    0.6594    0.8731   -1.5076 C   0  0  0  0  0
    1.6734    0.2616   -0.6503 N   0  0  0  0  0
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    8.2788   -3.3942   -6.6128 O   0  0  0  0  0
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    7.7559    2.8242   -6.5290 C   0  0  0  0  0
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   10.1101    3.2580   -6.9423 C   0  0  0  0  0
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    0.5304    1.9305   -1.2507 H   0  0  0  0  0
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    0.9067   -1.6944   -0.9044 H   0  0  0  0  0
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    1.8222   -1.2685   -3.1438 H   0  0  0  0  0
    4.6854    1.1588   -2.0538 H   0  0  0  0  0
    3.1332    1.3010   -2.9117 H   0  0  0  0  0
    3.6425    0.5492    0.0038 H   0  0  0  0  0
    2.8744    2.0031   -0.5864 H   0  0  0  0  0
    4.9530    1.0685   -4.2312 H   0  0  0  0  0
    5.3612   -3.6139   -5.7534 H   0  0  0  0  0
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    6.2766   -1.0194   -8.0567 H   0  0  0  0  0
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    9.5254   -0.9204  -11.8782 H   0  0  0  0  0
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    5.7656    2.6527   -5.7484 H   0  0  0  0  0
    9.3886    1.7680   -5.5734 H   0  0  0  0  0
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    8.1622    5.2860   -8.8508 H   0  0  0  0  0
    6.3797    4.0231   -7.6898 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  7  1  0  0  0
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  3  4  1  0  0  0
  3 35  1  0  0  0
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  4  5  1  0  0  0
  4 37  1  0  0  0
  4 38  1  0  0  0
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  6 39  1  0  0  0
  6 40  1  0  0  0
  7 41  1  0  0  0
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  8  9  2  0  0  0
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  9 43  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL249797

>  <PubChem CID>
11676464

>  <Formula>
C24H28N4O2S

>  <Molecular Weight>
436.574000

>  <IUPAC Name>
N-[2-(benzylamino)-4-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide

>  <XlogP>
3.900

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CN1CCN(CC1)C2=CC(=C(C=C2)NS(=O)(=O)C3=CC=CC=C3)NCC4=CC=CC=C4

>  <Isomeric SMILES>
CN1CCN(CC1)C2=CC(=C(C=C2)NS(=O)(=O)C3=CC=CC=C3)NCC4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C24H28N4O2S/c1-27-14-16-28(17-15-27)21-12-13-23(26-31(29,30)22-10-6-3-7-11-22)24(18-21)25-19-20-8-4-2-5-9-20/h2-13,18,25-26H,14-17,19H2,1H3

>  <InChI Key>
ADICJNUDACADIN-UHFFFAOYSA-N

