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M  END

>  <Chemical Name>
MLS-0435539.0001

>  <PubChem CID>
16310040

>  <Formula>
C22H28N2O5S2

>  <Molecular Weight>
464.595000

>  <IUPAC Name>
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide

>  <XlogP>
3.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)C3=CC4=C(S3)CCCCCC4

>  <Isomeric SMILES>
COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)C3=CC4=C(S3)CCCCCC4

>  <InChI Std. ID>
InChI=1S/C22H28N2O5S2/c1-28-19-9-8-17(31(26,27)24-10-12-29-13-11-24)15-18(19)23-22(25)21-14-16-6-4-2-3-5-7-20(16)30-21/h8-9,14-15H,2-7,10-13H2,1H3,(H,23,25)

>  <InChI Key>
DMFJVESKRGCNOS-UHFFFAOYSA-N

