
 SCHEMBL212682

 66 69  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
SCHEMBL212682

>  <PubChem CID>
10185239

>  <Formula>
C27H31NO6S

>  <Molecular Weight>
497.606000

>  <IUPAC Name>
3-methyl-4-[[6-[(5-methylfuran-2-yl)sulfonyl-(2-methylpropyl)amino]-2,3-dihydro-1H-inden-5-yl]oxymethyl]benzoic acid

>  <XlogP>
5.900

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC1=CC=C(O1)S(=O)(=O)N(CC(C)C)C2=C(C=C3CCCC3=C2)OCC4=C(C=C(C=C4)C(=O)O)C

>  <Isomeric SMILES>
CC1=CC=C(O1)S(=O)(=O)N(CC(C)C)C2=C(C=C3CCCC3=C2)OCC4=C(C=C(C=C4)C(=O)O)C

>  <InChI Std. ID>
InChI=1S/C27H31NO6S/c1-17(2)15-28(35(31,32)26-11-8-19(4)34-26)24-13-20-6-5-7-21(20)14-25(24)33-16-23-10-9-22(27(29)30)12-18(23)3/h8-14,17H,5-7,15-16H2,1-4H3,(H,29,30)

>  <InChI Key>
INKACADTUYSFBJ-UHFFFAOYSA-N

