
 CHEMBL482380

 54 58  0  0  0  0  0  0  0  0999 V2000
   -4.9111   -4.5381   -6.0134 C   0  0  0  0  0
   -5.6935   -5.3116   -5.1611 C   0  0  0  0  0
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   -4.9190   -2.7259   -4.3904 C   0  0  0  0  0
   -4.5240   -3.2537   -5.6298 C   0  0  0  0  0
   -6.2955   -0.9877   -0.3563 S   0  0  0  0  0
   -7.8482   -0.3256   -0.8263 C   0  0  0  0  0
   -9.0376   -1.0092   -0.7347 C   0  0  0  0  0
  -10.0205   -0.1939   -1.2216 N   0  0  0  0  0
   -9.4883    1.0125   -1.6202 C   0  0  0  0  0
   -8.1136    0.9769   -1.3590 C   0  0  0  0  0
   -7.3354    2.1298   -1.6499 C   0  0  0  0  0
   -7.9756    3.2454   -2.2145 C   0  0  0  0  0
   -9.3442    3.2330   -2.4833 C   0  0  0  0  0
  -10.1278    2.1203   -2.1835 C   0  0  0  0  0
   -6.0110    2.0804   -1.3173 O   0  0  0  0  0
   -5.1632    3.1724   -1.6166 C   0  0  0  0  0
   -5.0684    4.2438   -0.5333 C   0  0  0  0  0
   -4.3449    5.2225   -0.6747 O   0  0  0  0  0
   -5.8452    4.0345    0.6185 N   0  0  0  0  0
   -5.5810    4.7958    2.0725 S   0  0  0  0  0
   -6.6248    4.3605    2.9753 O   0  0  0  0  0
   -4.1958    4.5789    2.4257 O   0  0  0  0  0
   -5.8079    6.5153    1.7067 C   0  0  0  0  0
   -4.6511    7.3041    1.5670 C   0  0  0  0  0
   -4.7503    8.6585    1.2540 C   0  0  0  0  0
   -6.0036    9.2424    1.1095 C   0  0  0  0  0
   -7.1549    8.4673    1.2691 C   0  0  0  0  0
   -7.0658    7.0976    1.5584 C   0  0  0  0  0
   -8.5566    6.2333    1.6396 Cl  0  0  0  0  0
   -4.6001   -4.9334   -6.9770 H   0  0  0  0  0
   -5.9926   -6.3135   -5.4580 H   0  0  0  0  0
   -6.7071   -5.4212   -3.2745 H   0  0  0  0  0
   -6.7468   -3.5621   -1.6222 H   0  0  0  0  0
   -4.6322    0.0808   -2.4788 H   0  0  0  0  0
   -3.9122   -0.8239   -4.6406 H   0  0  0  0  0
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   -9.2661   -2.0038   -0.3770 H   0  0  0  0  0
  -10.9999   -0.4361   -1.2838 H   0  0  0  0  0
   -7.4385    4.1558   -2.4592 H   0  0  0  0  0
   -9.8124    4.1097   -2.9269 H   0  0  0  0  0
  -11.1949    2.1213   -2.3825 H   0  0  0  0  0
   -5.3819    3.6328   -2.5855 H   0  0  0  0  0
   -4.1521    2.7570   -1.7054 H   0  0  0  0  0
   -6.4904    3.2493    0.6706 H   0  0  0  0  0
   -3.6618    6.8583    1.6621 H   0  0  0  0  0
   -3.8479    9.2498    1.1138 H   0  0  0  0  0
   -6.0858   10.2983    0.8632 H   0  0  0  0  0
   -8.1276    8.9408    1.1510 H   0  0  0  0  0
  1  2  2  0  0  0
  1 10  1  0  0  0
  1 36  1  0  0  0
  2  3  1  0  0  0
  2 37  1  0  0  0
  3  4  2  0  0  0
  3 38  1  0  0  0
  4  9  1  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
  5 39  1  0  0  0
  6  7  1  0  0  0
  6 11  1  0  0  0
  7  8  2  0  0  0
  7 40  1  0  0  0
  8  9  1  0  0  0
  8 41  1  0  0  0
  9 10  2  0  0  0
 10 42  1  0  0  0
 11 12  1  0  0  0
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 34 35  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL482380

>  <PubChem CID>
44570148

>  <Formula>
C26H19ClN2O4S2

>  <Molecular Weight>
523.018000

>  <IUPAC Name>
N-(2-chlorophenyl)sulfonyl-2-[(3-naphthalen-2-ylsulfanyl-1H-indol-4-yl)oxy]acetamide

>  <XlogP>
6.4

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1=CC=C2C=C(C=CC2=C1)SC3=CNC4=C3C(=CC=C4)OCC(=O)NS(=O)(=O)C5=CC=CC=C5Cl

>  <Isomeric SMILES>
C1=CC=C2C=C(C=CC2=C1)SC3=CNC4=C3C(=CC=C4)OCC(=O)NS(=O)(=O)C5=CC=CC=C5Cl

>  <InChI Std. ID>
InChI=1S/C26H19ClN2O4S2/c27-20-8-3-4-11-24(20)35(31,32)29-25(30)16-33-22-10-5-9-21-26(22)23(15-28-21)34-19-13-12-17-6-1-2-7-18(17)14-19/h1-15,28H,16H2,(H,29,30)

>  <InChI Key>
BZYCOFYRDCQMJI-UHFFFAOYSA-N

