3,4-dimethyl-5-[[[5-(phenoxymethyl)furan-2-yl]carbonylamino]sulfamoyl]benzoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)NNC(=O)C2=CC=C(O2)COC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)NNC(=O)C2=CC=C(O2)COC3=CC=CC=C3)C

InChI

InChI=1S/C21H20N2O7S/c1-13-10-15(21(25)26)11-19(14(13)2)31(27,28)23-22-20(24)18-9-8-17(30-18)12-29-16-6-4-3-5-7-16/h3-11,23H,12H2,1-2H3,(H,22,24)(H,25,26)