
 SCHEMBL14321660

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M  END

>  <Chemical Name>
SCHEMBL14321660

>  <PubChem CID>
54669847

>  <Formula>
C20H20ClNO4S

>  <Molecular Weight>
405.893000

>  <IUPAC Name>
4-chloro-N-[2-[3-[(2-hydroxy-4-oxocyclopent-2-en-1-yl)methyl]phenyl]ethyl]benzenesulfonamide

>  <XlogP>
3.2

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

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

>  <Isomeric SMILES>
C1C(C(=CC1=O)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/h1-7,10,13,16,22,24H,8-9,11-12H2

>  <InChI Key>
ZIIQKOSWWBOXNW-UHFFFAOYSA-N

