
 SCHEMBL1279785

 53 55  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
SCHEMBL1279785

>  <PubChem CID>
57422380

>  <Formula>
C23H23NO5S

>  <Molecular Weight>
425.499000

>  <IUPAC Name>
4-[benzyl-[(4-methoxy-3-methylphenyl)methyl]sulfamoyl]benzoic acid

>  <XlogP>
3.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=C(C=CC(=C1)CN(CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C(=O)O)OC

>  <Isomeric SMILES>
CC1=C(C=CC(=C1)CN(CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C(=O)O)OC

>  <InChI Std. ID>
InChI=1S/C23H23NO5S/c1-17-14-19(8-13-22(17)29-2)16-24(15-18-6-4-3-5-7-18)30(27,28)21-11-9-20(10-12-21)23(25)26/h3-14H,15-16H2,1-2H3,(H,25,26)

>  <InChI Key>
SYBQZHYYLIOKGS-UHFFFAOYSA-N

