
 SCHEMBL1278766

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

>  <Chemical Name>
SCHEMBL1278766

>  <PubChem CID>
57422358

>  <Formula>
C23H23NO5S

>  <Molecular Weight>
425.499000

>  <IUPAC Name>
4-[(4-methoxyphenyl)methyl-[(2-methylphenyl)methyl]sulfamoyl]benzoic acid

>  <XlogP>
3.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=CC=CC=C1CN(CC2=CC=C(C=C2)OC)S(=O)(=O)C3=CC=C(C=C3)C(=O)O

>  <Isomeric SMILES>
CC1=CC=CC=C1CN(CC2=CC=C(C=C2)OC)S(=O)(=O)C3=CC=C(C=C3)C(=O)O

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

>  <InChI Key>
QIMCGCYKZONKDL-UHFFFAOYSA-N

