
 CHEMBL2087036

 59 61  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL2087036

>  <PubChem CID>
12085131

>  <Formula>
C23H26Cl2N4O3S

>  <Molecular Weight>
509.446000

>  <IUPAC Name>
(E)-4-[(2,4-dichloro-3-methylphenyl)sulfonyl-methylamino]-N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methylbut-2-enamide

>  <XlogP>
2.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=C(C=CC(=C1Cl)S(=O)(=O)N(C)CC=CC(=O)N(C)CC2=CC=C(C=C2)C3=NCCN3)Cl

>  <Isomeric SMILES>
CC1=C(C=CC(=C1Cl)S(=O)(=O)N(C)C/C=C/C(=O)N(C)CC2=CC=C(C=C2)C3=NCCN3)Cl

>  <InChI Std. ID>
InChI=1S/C23H26Cl2N4O3S/c1-16-19(24)10-11-20(22(16)25)33(31,32)29(3)14-4-5-21(30)28(2)15-17-6-8-18(9-7-17)23-26-12-13-27-23/h4-11H,12-15H2,1-3H3,(H,26,27)/b5-4+

>  <InChI Key>
BJHLXUFUYYMYHT-SNAWJCMRSA-N

