
 MLS000773968

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M  END

>  <Chemical Name>
MLS000773968

>  <PubChem CID>
3316998

>  <Formula>
C20H19NO3S

>  <Molecular Weight>
353.436000

>  <IUPAC Name>
N-[2-(3,4-dihydroxyphenyl)ethyl]-2-naphthalen-2-ylsulfanylacetamide

>  <XlogP>
4.3

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1=CC=C2C=C(C=CC2=C1)SCC(=O)NCCC3=CC(=C(C=C3)O)O

>  <Isomeric SMILES>
C1=CC=C2C=C(C=CC2=C1)SCC(=O)NCCC3=CC(=C(C=C3)O)O

>  <InChI Std. ID>
InChI=1S/C20H19NO3S/c22-18-8-5-14(11-19(18)23)9-10-21-20(24)13-25-17-7-6-15-3-1-2-4-16(15)12-17/h1-8,11-12,22-23H,9-10,13H2,(H,21,24)

>  <InChI Key>
GHZCKDRULRJZIA-UHFFFAOYSA-N

