
 CHEMBL479439

 58 61  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL479439

>  <PubChem CID>
44570712

>  <Formula>
C25H21Cl2F3N2O4S

>  <Molecular Weight>
573.408000

>  <IUPAC Name>
(E)-3-[1-[(2,4-dichlorophenyl)methyl]-3a-methyl-2-oxo-3,4,5,6-tetrahydroindol-7-yl]-N-(2,4,5-trifluorophenyl)sulfonylprop-2-enamide

>  <XlogP>
4.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC12CCCC(=C1N(C(=O)C2)CC3=C(C=C(C=C3)Cl)Cl)C=CC(=O)NS(=O)(=O)C4=C(C=C(C(=C4)F)F)F

>  <Isomeric SMILES>
CC12CCCC(=C1N(C(=O)C2)CC3=C(C=C(C=C3)Cl)Cl)/C=C/C(=O)NS(=O)(=O)C4=C(C=C(C(=C4)F)F)F

>  <InChI Std. ID>
InChI=1S/C25H21Cl2F3N2O4S/c1-25-8-2-3-14(24(25)32(23(34)12-25)13-15-4-6-16(26)9-17(15)27)5-7-22(33)31-37(35,36)21-11-19(29)18(28)10-20(21)30/h4-7,9-11H,2-3,8,12-13H2,1H3,(H,31,33)/b7-5+

>  <InChI Key>
AIVSMELJQNTESK-FNORWQNLSA-N

