
 MLS000417396

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    7.8550    6.3524    1.5900 C   0  0  0  0  0
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M  END

>  <Chemical Name>
MLS000417396

>  <PubChem CID>
2361995

>  <Formula>
C27H21FN4O3S

>  <Molecular Weight>
500.548000

>  <IUPAC Name>
N-[2-(1H-benzimidazol-2-yl)phenyl]-2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzamide

>  <XlogP>
5.5

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=C(C=CC(=C1)F)S(=O)(=O)NC2=CC=CC=C2C(=O)NC3=CC=CC=C3C4=NC5=CC=CC=C5N4

>  <Isomeric SMILES>
CC1=C(C=CC(=C1)F)S(=O)(=O)NC2=CC=CC=C2C(=O)NC3=CC=CC=C3C4=NC5=CC=CC=C5N4

>  <InChI Std. ID>
InChI=1S/C27H21FN4O3S/c1-17-16-18(28)14-15-25(17)36(34,35)32-22-11-5-3-9-20(22)27(33)31-21-10-4-2-8-19(21)26-29-23-12-6-7-13-24(23)30-26/h2-16,32H,1H3,(H,29,30)(H,31,33)

>  <InChI Key>
CZXNCDNJBVBOJX-UHFFFAOYSA-N

