
 SCHEMBL1279410

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M  END

>  <Chemical Name>
SCHEMBL1279410

>  <PubChem CID>
57422383

>  <Formula>
C22H18N2O4S

>  <Molecular Weight>
406.456000

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

>  <XlogP>
3.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1=CC=C(C=C1)CN(CC2=CC=CC=C2C#N)S(=O)(=O)C3=CC=C(C=C3)C(=O)O

>  <Isomeric SMILES>
C1=CC=C(C=C1)CN(CC2=CC=CC=C2C#N)S(=O)(=O)C3=CC=C(C=C3)C(=O)O

>  <InChI Std. ID>
InChI=1S/C22H18N2O4S/c23-14-19-8-4-5-9-20(19)16-24(15-17-6-2-1-3-7-17)29(27,28)21-12-10-18(11-13-21)22(25)26/h1-13H,15-16H2,(H,25,26)

>  <InChI Key>
PUAJMEHMJUIOIE-UHFFFAOYSA-N

