
 SCHEMBL15774531

 71 76  0  0  0  0  0  0  0  0999 V2000
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    1.1947    0.1734    0.0206 H   0  0  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL15774531

>  <PubChem CID>
76281728

>  <Formula>
C32H30N4O4S

>  <Molecular Weight>
566.676000

>  <IUPAC Name>
N-benzylsulfonyl-2-(9-ethylcarbazol-3-yl)-1-(2-methoxyethyl)benzimidazole-5-carboxamide

>  <XlogP>
4.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CCN1C2=C(C=C(C=C2)C3=NC4=C(N3CCOC)C=CC(=C4)C(=O)NS(=O)(=O)CC5=CC=CC=C5)C6=CC=CC=C61

>  <Isomeric SMILES>
CCN1C2=C(C=C(C=C2)C3=NC4=C(N3CCOC)C=CC(=C4)C(=O)NS(=O)(=O)CC5=CC=CC=C5)C6=CC=CC=C61

>  <InChI Std. ID>
InChI=1S/C32H30N4O4S/c1-3-35-28-12-8-7-11-25(28)26-19-23(13-15-29(26)35)31-33-27-20-24(14-16-30(27)36(31)17-18-40-2)32(37)34-41(38,39)21-22-9-5-4-6-10-22/h4-16,19-20H,3,17-18,21H2,1-2H3,(H,34,37)

>  <InChI Key>
AGLMDWQRPQFALK-UHFFFAOYSA-N

