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

Systemtic Name: 3-[4-[[4-(furan-2-ylmethylcarbamoylamino)phenyl]sulfamoyl]phenyl]propanoic acid Openeye Name: 3-[4-[[4-(2-furylmethylcarbamoylamino)phenyl]sulfamoyl]phenyl]propanoic acid CAS Name: 3-[4-[[4-[[(2-furanylmethylamino)-oxomethyl]amino]phenyl]sulfamoyl]phenyl]propanoic acid IUPAC Name: 3-[4-[[4-(furan-2-ylmethylcarbamoylamino)phenyl]sulfamoyl]phenyl]propanoic acid Traditional Name: 3-[4-[[4-(2-furfurylcarbamoylamino)phenyl]sulfamoyl]phenyl]propionic acid Formula: C21H21N3O6S MolecularWeight: 443.47294

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CNC(=O)NC2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)CCC(=O)O

Isomeric SMILES

C1=COC(=C1)CNC(=O)NC2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)CCC(=O)O

InChI

InChI=1S/C21H21N3O6S/c25-20(26)12-5-15-3-10-19(11-4-15)31(28,29)24-17-8-6-16(7-9-17)23-21(27)22-14-18-2-1-13-30-18/h1-4,6-11,13,24H,5,12,14H2,(H,25,26)(H2,22,23,27)