
 MLS000582311

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M  END

>  <Chemical Name>
MLS000582311

>  <PubChem CID>
2223246

>  <Formula>
C28H26N2O3S

>  <Molecular Weight>
470.587000

>  <IUPAC Name>
3-[(2,5-dimethylphenyl)sulfamoyl]-4-methyl-N-(2-phenylphenyl)benzamide

>  <XlogP>
6.0

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=CC(=C(C=C1)C)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC=CC=C3C4=CC=CC=C4)C

>  <Isomeric SMILES>
CC1=CC(=C(C=C1)C)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC=CC=C3C4=CC=CC=C4)C

>  <InChI Std. ID>
InChI=1S/C28H26N2O3S/c1-19-13-14-20(2)26(17-19)30-34(32,33)27-18-23(16-15-21(27)3)28(31)29-25-12-8-7-11-24(25)22-9-5-4-6-10-22/h4-18,30H,1-3H3,(H,29,31)

>  <InChI Key>
BWWPVIRXNOWQSI-UHFFFAOYSA-N

