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M  END

>  <Chemical Name>
MLS000759858

>  <PubChem CID>
4087445

>  <Formula>
C22H27N3O5S2

>  <Molecular Weight>
477.594000

>  <IUPAC Name>
N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide

>  <XlogP>
2.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
C1CC2=C(C1)SC(=C2)C(=O)NC3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)N5CCOCC5

>  <Isomeric SMILES>
C1CC2=C(C1)SC(=C2)C(=O)NC3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)N5CCOCC5

>  <InChI Std. ID>
InChI=1S/C22H27N3O5S2/c26-22(21-14-16-2-1-3-20(16)31-21)23-18-15-17(32(27,28)25-8-12-30-13-9-25)4-5-19(18)24-6-10-29-11-7-24/h4-5,14-15H,1-3,6-13H2,(H,23,26)

>  <InChI Key>
BICOMNYLBSABSP-UHFFFAOYSA-N

