
 SCHEMBL3306006

 47 49  0  0  0  0  0  0  0  0999 V2000
    8.5611    1.0109    1.4153 C   0  0  0  0  0
    7.2836    0.1832    1.2965 C   0  0  0  0  0
    7.0369   -0.5488    2.6146 C   0  0  0  0  0
    6.1547    1.0496    1.0557 O   0  0  0  0  0
    5.8142    1.1518   -0.2688 C   0  0  0  0  0
    6.1765    2.3089   -0.9747 C   0  0  0  0  0
    5.8634    2.4453   -2.3285 C   0  0  0  0  0
    5.1592    1.4361   -2.9775 C   0  0  0  0  0
    4.7329    0.3082   -2.2818 C   0  0  0  0  0
    5.0347    0.1835   -0.9193 C   0  0  0  0  0
    4.3437   -1.1605   -0.0005 S   0  0  0  0  0
    5.2877   -2.2505   -0.1086 O   0  0  0  0  0
    3.8755   -0.6555    1.2641 O   0  0  0  0  0
    2.9853   -1.6625   -0.8846 N   0  0  0  0  0
    1.6057   -1.2720   -0.3868 C   0  0  0  0  0
    1.3389    0.2379   -0.6277 C   0  0  0  0  0
    0.0111    0.2611   -1.3238 C   0  0  0  0  0
   -0.7376    1.3743   -1.6746 C   0  0  0  0  0
   -1.9480    1.1822   -2.3460 C   0  0  0  0  0
   -2.3934   -0.1100   -2.6581 C   0  0  0  0  0
   -1.6295   -1.2237   -2.3088 C   0  0  0  0  0
   -0.4286   -1.0203   -1.6453 C   0  0  0  0  0
    0.5516   -2.0638   -1.2210 C   0  0  0  0  0
    1.3752   -1.6716    1.0757 C   0  0  0  0  0
    0.7043   -1.0894    1.9118 O   0  0  0  0  0
    1.9680   -2.8519    1.3863 O   0  0  0  0  0
    4.7743    1.6051   -4.6450 Cl  0  0  0  0  0
    6.9802    3.6322   -0.2060 Cl  0  0  0  0  0
    8.4294    1.8380    2.1216 H   0  0  0  0  0
    8.8307    1.4484    0.4498 H   0  0  0  0  0
    9.4047    0.3973    1.7471 H   0  0  0  0  0
    7.4057   -0.5595    0.4981 H   0  0  0  0  0
    6.8812    0.1608    3.4348 H   0  0  0  0  0
    7.8789   -1.2001    2.8704 H   0  0  0  0  0
    6.1366   -1.1666    2.5593 H   0  0  0  0  0
    6.1596    3.3407   -2.8695 H   0  0  0  0  0
    4.1524   -0.4521   -2.7985 H   0  0  0  0  0
    3.0767   -2.6730   -1.0260 H   0  0  0  0  0
    2.0816    0.6911   -1.2898 H   0  0  0  0  0
    1.2958    0.8146    0.3017 H   0  0  0  0  0
   -0.3967    2.3777   -1.4382 H   0  0  0  0  0
   -2.5512    2.0411   -2.6310 H   0  0  0  0  0
   -3.3384   -0.2435   -3.1792 H   0  0  0  0  0
   -1.9724   -2.2237   -2.5565 H   0  0  0  0  0
    0.9925   -2.5287   -2.1096 H   0  0  0  0  0
    0.0437   -2.8377   -0.6337 H   0  0  0  0  0
    1.8330   -2.9217    2.3567 H   0  0  0  0  0
  1  2  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  2 32  1  0  0  0
  3 33  1  0  0  0
  3 34  1  0  0  0
  3 35  1  0  0  0
  4  5  1  0  0  0
  5 10  1  0  0  0
  5  6  2  0  0  0
  6  7  1  0  0  0
  6 28  1  0  0  0
  7  8  2  0  0  0
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  8  9  1  0  0  0
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 15 24  1  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL3306006

>  <PubChem CID>
25160278

>  <Formula>
C19H19Cl2NO5S

>  <Molecular Weight>
444.323000

>  <IUPAC Name>
2-[(3,5-dichloro-2-propan-2-yloxyphenyl)sulfonylamino]-1,3-dihydroindene-2-carboxylic acid

>  <XlogP>
4.4

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC(C)OC1=C(C=C(C=C1S(=O)(=O)NC2(CC3=CC=CC=C3C2)C(=O)O)Cl)Cl

>  <Isomeric SMILES>
CC(C)OC1=C(C=C(C=C1S(=O)(=O)NC2(CC3=CC=CC=C3C2)C(=O)O)Cl)Cl

>  <InChI Std. ID>
InChI=1S/C19H19Cl2NO5S/c1-11(2)27-17-15(21)7-14(20)8-16(17)28(25,26)22-19(18(23)24)9-12-5-3-4-6-13(12)10-19/h3-8,11,22H,9-10H2,1-2H3,(H,23,24)

>  <InChI Key>
UDQBYOINRNOXIK-UHFFFAOYSA-N

