
 ST50920082

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M  END

>  <Chemical Name>
ST50920082

>  <PubChem CID>
2164452

>  <Formula>
C23H16N4O3S3

>  <Molecular Weight>
492.586000

>  <IUPAC Name>
N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-2-thiophen-2-ylquinoline-4-carboxamide

>  <XlogP>
4.3

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C(=O)NC4=CC=C(C=C4)S(=O)(=O)NC5=NC=CS5

>  <Isomeric SMILES>
C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C(=O)NC4=CC=C(C=C4)S(=O)(=O)NC5=NC=CS5

>  <InChI Std. ID>
InChI=1S/C23H16N4O3S3/c28-22(18-14-20(21-6-3-12-31-21)26-19-5-2-1-4-17(18)19)25-15-7-9-16(10-8-15)33(29,30)27-23-24-11-13-32-23/h1-14H,(H,24,27)(H,25,28)

>  <InChI Key>
BNKRAYDPUDOBAS-UHFFFAOYSA-N

