
 MLS-0203836.0001

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M  END

>  <Chemical Name>
MLS-0203836.0001

>  <PubChem CID>
1358622

>  <Formula>
C27H22N4O3S2

>  <Molecular Weight>
514.618000

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

>  <XlogP>
5.300

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC1=CC(=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC=C(C=C4)S(=O)(=O)NC5=NC=CS5)C

>  <Isomeric SMILES>
CC1=CC(=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC=C(C=C4)S(=O)(=O)NC5=NC=CS5)C

>  <InChI Std. ID>
InChI=1S/C27H22N4O3S2/c1-17-7-12-21(18(2)15-17)25-16-23(22-5-3-4-6-24(22)30-25)26(32)29-19-8-10-20(11-9-19)36(33,34)31-27-28-13-14-35-27/h3-16H,1-2H3,(H,28,31)(H,29,32)

>  <InChI Key>
BZRLSZPXWKJEHX-UHFFFAOYSA-N

