
 SCHEMBL2192987

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    4.6439   -4.0406    2.0451 H   0  0  0  0  0
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    6.1447   -1.5354   -0.8844 H   0  0  0  0  0
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   10.1415    6.3678   -2.1757 H   0  0  0  0  0
   11.3801    7.9502    0.0280 H   0  0  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL2192987

>  <PubChem CID>
52938055

>  <Formula>
C24H26N4O5S

>  <Molecular Weight>
482.555000

>  <IUPAC Name>
N-[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-methoxyethanesulfonamide

>  <XlogP>
3.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
CC(C)OC1=C(C=C(C=C1)C2=NC(=NO2)C3=C4CCC(C4=CC=C3)NS(=O)(=O)CCOC)C#N

>  <Isomeric SMILES>
CC(C)OC1=C(C=C(C=C1)C2=NC(=NO2)C3=C4CC[C@@H](C4=CC=C3)NS(=O)(=O)CCOC)C#N

>  <InChI Std. ID>
InChI=1S/C24H26N4O5S/c1-15(2)32-22-10-7-16(13-17(22)14-25)24-26-23(27-33-24)20-6-4-5-19-18(20)8-9-21(19)28-34(29,30)12-11-31-3/h4-7,10,13,15,21,28H,8-9,11-12H2,1-3H3/t21-/m0/s1

>  <InChI Key>
CCEAKDWEXPIAPE-NRFANRHFSA-N

