3-[4-[[2-(furan-2-ylmethylcarbamoyl)phenyl]-methyl-sulfamoyl]phenyl]propanoic acid

Systemtic Name: 3-[4-[[2-(furan-2-ylmethylcarbamoyl)phenyl]-methyl-sulfamoyl]phenyl]propanoic acid Openeye Name: 3-[4-[[2-(2-furylmethylcarbamoyl)phenyl]-methyl-sulfamoyl]phenyl]propanoic acid CAS Name: 3-[4-[[2-[(2-furanylmethylamino)-oxomethyl]phenyl]-methylsulfamoyl]phenyl]propanoic acid IUPAC Name: 3-[4-[[2-(furan-2-ylmethylcarbamoyl)phenyl]-methylsulfamoyl]phenyl]propanoic acid Traditional Name: 3-[4-[[2-(2-furfurylcarbamoyl)phenyl]-methyl-sulfamoyl]phenyl]propionic acid Formula: C22H22N2O6S MolecularWeight: 442.48488

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1C(=O)NCC2=CC=CO2)S(=O)(=O)C3=CC=C(C=C3)CCC(=O)O

Isomeric SMILES

CN(C1=CC=CC=C1C(=O)NCC2=CC=CO2)S(=O)(=O)C3=CC=C(C=C3)CCC(=O)O

InChI

InChI=1S/C22H22N2O6S/c1-24(31(28,29)18-11-8-16(9-12-18)10-13-21(25)26)20-7-3-2-6-19(20)22(27)23-15-17-5-4-14-30-17/h2-9,11-12,14H,10,13,15H2,1H3,(H,23,27)(H,25,26)