
 SCHEMBL3307137

 42 45  0  0  0  0  0  0  0  0999 V2000
    0.1079    1.4912   -0.1545 C   0  0  0  0  0
    1.5854    1.6421    0.0388 C   0  0  0  0  0
    2.2746    2.7778    0.4314 C   0  0  0  0  0
    3.6588    2.6912    0.5869 C   0  0  0  0  0
    4.3274    1.4785    0.3603 C   0  0  0  0  0
    3.6210    0.3372   -0.0265 C   0  0  0  0  0
    2.2490    0.4357   -0.1886 C   0  0  0  0  0
    1.2871   -0.6478   -0.5749 C   0  0  0  0  0
   -0.0066    0.1466   -0.9154 C   0  0  0  0  0
   -0.0178    0.3720   -2.4394 C   0  0  0  0  0
    0.3435    1.3726   -3.0405 O   0  0  0  0  0
   -0.4450   -0.7062   -3.1377 O   0  0  0  0  0
   -1.2026   -0.6520   -0.4809 N   0  0  0  0  0
   -2.7496   -0.0086   -0.7059 S   0  0  0  0  0
   -2.6830    0.9329   -1.8039 O   0  0  0  0  0
   -3.7001   -1.0971   -0.7162 O   0  0  0  0  0
   -3.0397    0.9261    0.7717 C   0  0  0  0  0
   -3.4217    2.2719    0.6504 C   0  0  0  0  0
   -3.6605    3.0223    1.7931 C   0  0  0  0  0
   -3.5368    2.4218    3.0422 C   0  0  0  0  0
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   -2.8773    0.2976    2.0075 C   0  0  0  0  0
   -2.4489   -0.9829    2.1221 N   0  0  0  0  0
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    5.4063    1.4292    0.4870 H   0  0  0  0  0
    4.1418   -0.5995   -0.1983 H   0  0  0  0  0
    1.1443   -1.3214    0.2777 H   0  0  0  0  0
    1.6678   -1.2220   -1.4263 H   0  0  0  0  0
   -0.5009   -0.3828   -4.0603 H   0  0  0  0  0
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   -2.0831   -2.5871    3.3707 H   0  0  0  0  0
   -2.6004   -1.3574    5.4804 H   0  0  0  0  0
   -3.2672    1.0259    5.3216 H   0  0  0  0  0
  1  9  1  0  0  0
  1  2  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2  7  1  0  0  0
  2  3  2  0  0  0
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  3 29  1  0  0  0
  4  5  2  0  0  0
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  6 32  1  0  0  0
  7  8  1  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL3307137

>  <PubChem CID>
59314355

>  <Formula>
C19H16N2O4S

>  <Molecular Weight>
368.407000

>  <IUPAC Name>
2-(quinolin-8-ylsulfonylamino)-1,3-dihydroindene-2-carboxylic acid

>  <XlogP>
2.6

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1C2=CC=CC=C2CC1(C(=O)O)NS(=O)(=O)C3=CC=CC4=C3N=CC=C4

>  <Isomeric SMILES>
C1C2=CC=CC=C2CC1(C(=O)O)NS(=O)(=O)C3=CC=CC4=C3N=CC=C4

>  <InChI Std. ID>
InChI=1S/C19H16N2O4S/c22-18(23)19(11-14-5-1-2-6-15(14)12-19)21-26(24,25)16-9-3-7-13-8-4-10-20-17(13)16/h1-10,21H,11-12H2,(H,22,23)

>  <InChI Key>
CYRHJONSAVCYDA-UHFFFAOYSA-N

