
 SCHEMBL213839

 65 67  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
SCHEMBL213839

>  <PubChem CID>
10299802

>  <Formula>
C26H31NO6S

>  <Molecular Weight>
485.595000

>  <IUPAC Name>
4-[[4,5-dimethyl-2-[(5-methylfuran-2-yl)sulfonyl-(2-methylpropyl)amino]phenoxy]methyl]-3-methylbenzoic acid

>  <XlogP>
5.800

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC1=CC=C(O1)S(=O)(=O)N(CC(C)C)C2=C(C=C(C(=C2)C)C)OCC3=C(C=C(C=C3)C(=O)O)C

>  <Isomeric SMILES>
CC1=CC=C(O1)S(=O)(=O)N(CC(C)C)C2=C(C=C(C(=C2)C)C)OCC3=C(C=C(C=C3)C(=O)O)C

>  <InChI Std. ID>
InChI=1S/C26H31NO6S/c1-16(2)14-27(34(30,31)25-10-7-20(6)33-25)23-12-17(3)18(4)13-24(23)32-15-22-9-8-21(26(28)29)11-19(22)5/h7-13,16H,14-15H2,1-6H3,(H,28,29)

>  <InChI Key>
IQXOMZMFCPBOBN-UHFFFAOYSA-N

