3-[4-[[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]sulfamoyl]phenyl]propanoic acid

Systemtic Name: 3-[4-[[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]sulfamoyl]phenyl]propanoic acid Openeye Name: 3-[4-[[2-(2-furylmethylamino)-2-oxo-ethyl]sulfamoyl]phenyl]propanoic acid CAS Name: 3-[4-[[2-(2-furanylmethylamino)-2-oxoethyl]sulfamoyl]phenyl]propanoic acid IUPAC Name: 3-[4-[[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfamoyl]phenyl]propanoic acid Traditional Name: 3-[4-[[2-(2-furfurylamino)-2-keto-ethyl]sulfamoyl]phenyl]propionic acid Formula: C16H18N2O6S MolecularWeight: 366.38892

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CNC(=O)CNS(=O)(=O)C2=CC=C(C=C2)CCC(=O)O

Isomeric SMILES

C1=COC(=C1)CNC(=O)CNS(=O)(=O)C2=CC=C(C=C2)CCC(=O)O

InChI

InChI=1S/C16H18N2O6S/c19-15(17-10-13-2-1-9-24-13)11-18-25(22,23)14-6-3-12(4-7-14)5-8-16(20)21/h1-4,6-7,9,18H,5,8,10-11H2,(H,17,19)(H,20,21)