
 SCHEMBL215462

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M  END

>  <Chemical Name>
SCHEMBL215462

>  <PubChem CID>
23106384

>  <Formula>
C26H30N2O5S

>  <Molecular Weight>
482.595000

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

>  <XlogP>
5.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC1=CC(=C(C=C1C)OCC2=C(C=C(C=C2)C(=O)O)C)N(CC(C)C)S(=O)(=O)C3=CC=CC=N3

>  <Isomeric SMILES>
CC1=CC(=C(C=C1C)OCC2=C(C=C(C=C2)C(=O)O)C)N(CC(C)C)S(=O)(=O)C3=CC=CC=N3

>  <InChI Std. ID>
InChI=1S/C26H30N2O5S/c1-17(2)15-28(34(31,32)25-8-6-7-11-27-25)23-13-18(3)19(4)14-24(23)33-16-22-10-9-21(26(29)30)12-20(22)5/h6-14,17H,15-16H2,1-5H3,(H,29,30)

>  <InChI Key>
AEANKAMGBZVZMQ-UHFFFAOYSA-N

