
 BDBM50353638

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M  END

>  <Chemical Name>
BDBM50353638

>  <PubChem CID>
91930812

>  <Formula>
C20H20ClNO4S

>  <Molecular Weight>
405.893000

>  <IUPAC Name>
4-chloro-N-[2-[3-[(2,4-dioxocyclopentyl)methyl]phenyl]ethyl]benzenesulfonamide

>  <XlogP>
3.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1C(C(=O)CC1=O)CC2=CC(=CC=C2)CCNS(=O)(=O)C3=CC=C(C=C3)Cl

>  <Isomeric SMILES>
C1C(C(=O)CC1=O)CC2=CC(=CC=C2)CCNS(=O)(=O)C3=CC=C(C=C3)Cl

>  <InChI Std. ID>
InChI=1S/C20H20ClNO4S/c21-17-4-6-19(7-5-17)27(25,26)22-9-8-14-2-1-3-15(10-14)11-16-12-18(23)13-20(16)24/h1-7,10,16,22H,8-9,11-13H2

>  <InChI Key>
HOVQMBSPXMVMFY-UHFFFAOYSA-N

