2-(3H-1,2-benzodioxol-6-yl)-2-[4-(methylcarbamoylsulfamoyl)-2-propyl-phenoxy]ethanoic acid

Systemtic Name: 2-(3H-1,2-benzodioxol-6-yl)-2-[4-(methylcarbamoylsulfamoyl)-2-propyl-phenoxy]ethanoic acid Openeye Name: 2-(3H-1,2-benzodioxol-6-yl)-2-[4-(methylcarbamoylsulfamoyl)-2-propyl-phenoxy]acetic acid CAS Name: 2-(3H-1,2-benzodioxol-6-yl)-2-[4-(methylcarbamoylsulfamoyl)-2-propylphenoxy]acetic acid IUPAC Name: 2-(3H-1,2-benzodioxol-6-yl)-2-[4-(methylcarbamoylsulfamoyl)-2-propylphenoxy]acetic acid Traditional Name: 2-(3H-1,2-benzodioxol-6-yl)-2-[4-(methylcarbamoylsulfamoyl)-2-propyl-phenoxy]acetic acid Formula: C20H22N2O8S MolecularWeight: 450.46228

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)S(=O)(=O)NC(=O)NC)OC(C2=CC3=C(COO3)C=C2)C(=O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1)S(=O)(=O)NC(=O)NC)OC(C2=CC3=C(COO3)C=C2)C(=O)O

InChI

InChI=1S/C20H22N2O8S/c1-3-4-12-9-15(31(26,27)22-20(25)21-2)7-8-16(12)29-18(19(23)24)13-5-6-14-11-28-30-17(14)10-13/h5-10,18H,3-4,11H2,1-2H3,(H,23,24)(H2,21,22,25)