
 MLS000416520

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M  END

>  <Chemical Name>
MLS000416520

>  <PubChem CID>
2577649

>  <Formula>
C21H19BrN2O6S2

>  <Molecular Weight>
539.415000

>  <IUPAC Name>
[2-(4-bromoanilino)-2-oxoethyl] 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetate

>  <XlogP>
4.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CN(C1=CC=C(C=C1)OCC(=O)OCC(=O)NC2=CC=C(C=C2)Br)S(=O)(=O)C3=CC=CS3

>  <Isomeric SMILES>
CN(C1=CC=C(C=C1)OCC(=O)OCC(=O)NC2=CC=C(C=C2)Br)S(=O)(=O)C3=CC=CS3

>  <InChI Std. ID>
InChI=1S/C21H19BrN2O6S2/c1-24(32(27,28)21-3-2-12-31-21)17-8-10-18(11-9-17)29-14-20(26)30-13-19(25)23-16-6-4-15(22)5-7-16/h2-12H,13-14H2,1H3,(H,23,25)

>  <InChI Key>
AOGPKUWIJLMYCC-UHFFFAOYSA-N

