
 CHEMBL26079

 46 49  0  0  0  0  0  0  0  0999 V2000
   -0.4807    5.9878    3.4304 C   0  0  0  0  0
   -0.7684    5.6047    2.0301 C   0  0  0  0  0
   -0.2545    4.5661    1.2864 C   0  0  0  0  0
   -0.9030    4.4944    0.0950 O   0  0  0  0  0
   -1.7628    5.5658   -0.0282 N   0  0  0  0  0
   -1.6654    6.2396    1.1236 C   0  0  0  0  0
   -2.4403    7.4866    1.3190 C   0  0  0  0  0
    0.7698    3.6580    1.6568 N   0  0  0  0  0
    2.3625    4.2382    1.4181 S   0  0  0  0  0
    2.9110    4.5514    2.7186 O   0  0  0  0  0
    2.9952    3.2175    0.6042 O   0  0  0  0  0
    2.2355    5.7155    0.3955 C   0  0  0  0  0
    2.0544    5.4541   -0.9736 C   0  0  0  0  0
    1.8258    6.4950   -1.8518 C   0  0  0  0  0
    1.8061    7.8022   -1.3744 C   0  0  0  0  0
    2.0565    8.1355   -0.0208 C   0  0  0  0  0
    2.2666    7.0580    0.8998 C   0  0  0  0  0
    2.4584    7.4106    2.2587 C   0  0  0  0  0
    2.4040    8.7237    2.7151 C   0  0  0  0  0
    2.1744    9.7524    1.8214 C   0  0  0  0  0
    2.0345    9.4909    0.4524 C   0  0  0  0  0
    1.8483   10.6123   -0.4085 N   0  0  0  0  0
    1.1693   11.8140    0.0112 C   0  0  0  0  0
    0.9980   12.5848   -1.2803 C   0  0  0  0  0
    2.2758   12.2614   -2.0355 C   0  0  0  0  0
    2.6272   10.8723   -1.5478 C   0  0  0  0  0
    3.5007   10.1855   -2.0501 O   0  0  0  0  0
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    0.4578    5.5584    3.7901 H   0  0  0  0  0
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   -3.1404    7.3786    2.1525 H   0  0  0  0  0
   -3.0131    7.7495    0.4234 H   0  0  0  0  0
    0.7207    2.8149    1.0800 H   0  0  0  0  0
    2.0470    4.4362   -1.3588 H   0  0  0  0  0
    1.6468    6.2983   -2.9059 H   0  0  0  0  0
    1.5848    8.5779   -2.1031 H   0  0  0  0  0
    2.6510    6.6699    3.0262 H   0  0  0  0  0
    2.5582    8.9376    3.7699 H   0  0  0  0  0
    2.1722   10.7659    2.2095 H   0  0  0  0  0
    1.8058   12.3755    0.7042 H   0  0  0  0  0
    0.2083   11.5794    0.4792 H   0  0  0  0  0
    0.1332   12.2025   -1.8368 H   0  0  0  0  0
    0.8545   13.6570   -1.1212 H   0  0  0  0  0
    2.1232   12.2712   -3.1171 H   0  0  0  0  0
    3.0860   12.9443   -1.7604 H   0  0  0  0  0
  1  2  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
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  2  3  2  0  0  0
  3  4  1  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
  6  7  1  0  0  0
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  8  9  1  0  0  0
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  9 12  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL26079

>  <PubChem CID>
10385400

>  <Formula>
C19H19N3O4S

>  <Molecular Weight>
385.438000

>  <IUPAC Name>
N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-(2-oxopyrrolidin-1-yl)naphthalene-1-sulfonamide

>  <XlogP>
2.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=C(ON=C1C)NS(=O)(=O)C2=CC=CC3=C2C=CC=C3N4CCCC4=O

>  <Isomeric SMILES>
CC1=C(ON=C1C)NS(=O)(=O)C2=CC=CC3=C2C=CC=C3N4CCCC4=O

>  <InChI Std. ID>
InChI=1S/C19H19N3O4S/c1-12-13(2)20-26-19(12)21-27(24,25)17-9-4-6-14-15(17)7-3-8-16(14)22-11-5-10-18(22)23/h3-4,6-9,21H,5,10-11H2,1-2H3

>  <InChI Key>
CADOLIAMGUQADS-UHFFFAOYSA-N

