
 MLS001197324

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M  END

>  <Chemical Name>
MLS001197324

>  <PubChem CID>
5334257

>  <Formula>
C25H25N3O7S

>  <Molecular Weight>
511.549000

>  <IUPAC Name>
methyl 2-[4-[(E)-[[2-[N-(benzenesulfonyl)-2-methoxyanilino]acetyl]hydrazinylidene]methyl]phenoxy]acetate

>  <XlogP>
3.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
COC1=CC=CC=C1N(CC(=O)NN=CC2=CC=C(C=C2)OCC(=O)OC)S(=O)(=O)C3=CC=CC=C3

>  <Isomeric SMILES>
COC1=CC=CC=C1N(CC(=O)N/N=C/C2=CC=C(C=C2)OCC(=O)OC)S(=O)(=O)C3=CC=CC=C3

>  <InChI Std. ID>
InChI=1S/C25H25N3O7S/c1-33-23-11-7-6-10-22(23)28(36(31,32)21-8-4-3-5-9-21)17-24(29)27-26-16-19-12-14-20(15-13-19)35-18-25(30)34-2/h3-16H,17-18H2,1-2H3,(H,27,29)/b26-16+

>  <InChI Key>
BNBBFTGNLHTAEL-WGOQTCKBSA-N

