
 SCHEMBL1279561

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M  END

>  <Chemical Name>
SCHEMBL1279561

>  <PubChem CID>
57422337

>  <Formula>
C24H25NO7S

>  <Molecular Weight>
471.524000

>  <IUPAC Name>
4-[benzyl-[(2,4,6-trimethoxyphenyl)methyl]sulfamoyl]benzoic acid

>  <XlogP>
3.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
COC1=CC(=C(C(=C1)OC)CN(CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C(=O)O)OC

>  <Isomeric SMILES>
COC1=CC(=C(C(=C1)OC)CN(CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C(=O)O)OC

>  <InChI Std. ID>
InChI=1S/C24H25NO7S/c1-30-19-13-22(31-2)21(23(14-19)32-3)16-25(15-17-7-5-4-6-8-17)33(28,29)20-11-9-18(10-12-20)24(26)27/h4-14H,15-16H2,1-3H3,(H,26,27)

>  <InChI Key>
TWXMDQCPJHAYOY-UHFFFAOYSA-N

