
 SCHEMBL17938377

 71 76  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
SCHEMBL17938377

>  <PubChem CID>
76281729

>  <Formula>
C32H30N4O4S

>  <Molecular Weight>
566.676000

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

>  <XlogP>
5.4

>  <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)C5=CC=CC=C5C)C6=CC=CC=C61

>  <Isomeric SMILES>
CCN1C2=C(C=C(C=C2)C3=NC4=C(N3CCOC)C=CC(=C4)C(=O)NS(=O)(=O)C5=CC=CC=C5C)C6=CC=CC=C61

>  <InChI Std. ID>
InChI=1S/C32H30N4O4S/c1-4-35-27-11-7-6-10-24(27)25-19-22(13-15-28(25)35)31-33-26-20-23(14-16-29(26)36(31)17-18-40-3)32(37)34-41(38,39)30-12-8-5-9-21(30)2/h5-16,19-20H,4,17-18H2,1-3H3,(H,34,37)

>  <InChI Key>
AFUBCOAWRGGMKL-UHFFFAOYSA-N

