
 Oprea1_007249

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M  END

>  <Chemical Name>
Oprea1_007249

>  <PubChem CID>
1169522

>  <Formula>
C21H21NO6S

>  <Molecular Weight>
415.460000

>  <IUPAC Name>
4-[(4-ethoxyphenyl)methyl-(furan-2-ylmethyl)sulfamoyl]benzoic acid

>  <XlogP>
3.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CCOC1=CC=C(C=C1)CN(CC2=CC=CO2)S(=O)(=O)C3=CC=C(C=C3)C(=O)O

>  <Isomeric SMILES>
CCOC1=CC=C(C=C1)CN(CC2=CC=CO2)S(=O)(=O)C3=CC=C(C=C3)C(=O)O

>  <InChI Std. ID>
InChI=1S/C21H21NO6S/c1-2-27-18-9-5-16(6-10-18)14-22(15-19-4-3-13-28-19)29(25,26)20-11-7-17(8-12-20)21(23)24/h3-13H,2,14-15H2,1H3,(H,23,24)

>  <InChI Key>
MPFRIPJFKIRONX-UHFFFAOYSA-N

