
 SCHEMBL215536

 68 70  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
SCHEMBL215536

>  <PubChem CID>
23106360

>  <Formula>
C28H32N2O5S

>  <Molecular Weight>
508.633000

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

>  <XlogP>
5.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

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

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

>  <InChI Std. ID>
InChI=1S/C28H32N2O5S/c1-19(2)17-30(36(33,34)25-7-6-12-29-16-25)26-14-20(3)21(4)15-27(26)35-18-24-10-8-23(13-22(24)5)9-11-28(31)32/h6-16,19H,17-18H2,1-5H3,(H,31,32)/b11-9+

>  <InChI Key>
ILTMQNRYNXMLNS-PKNBQFBNSA-N

