3-[4-[[[5-(phenoxymethyl)furan-2-yl]carbonylamino]sulfamoyl]phenyl]propanoic acid

Systemtic Name: 3-[4-[[[5-(phenoxymethyl)furan-2-yl]carbonylamino]sulfamoyl]phenyl]propanoic acid Openeye Name: 3-[4-[[[5-(phenoxymethyl)furan-2-carbonyl]amino]sulfamoyl]phenyl]propanoic acid CAS Name: 3-[4-[[[oxo-[5-(phenoxymethyl)-2-furanyl]methyl]amino]sulfamoyl]phenyl]propanoic acid IUPAC Name: 3-[4-[[[5-(phenoxymethyl)furan-2-carbonyl]amino]sulfamoyl]phenyl]propanoic acid Traditional Name: 3-[4-[[[5-(phenoxymethyl)-2-furoyl]amino]sulfamoyl]phenyl]propionic acid Formula: C21H20N2O7S MolecularWeight: 444.4577

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC2=CC=C(O2)C(=O)NNS(=O)(=O)C3=CC=C(C=C3)CCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)OCC2=CC=C(O2)C(=O)NNS(=O)(=O)C3=CC=C(C=C3)CCC(=O)O

InChI

InChI=1S/C21H20N2O7S/c24-20(25)13-8-15-6-10-18(11-7-15)31(27,28)23-22-21(26)19-12-9-17(30-19)14-29-16-4-2-1-3-5-16/h1-7,9-12,23H,8,13-14H2,(H,22,26)(H,24,25)