3-[[2-(furan-2-ylmethylcarbamoyl)phenyl]sulfamoyl]-4,5-dimethyl-benzoic acid

Systemtic Name: 3-[[2-(furan-2-ylmethylcarbamoyl)phenyl]sulfamoyl]-4,5-dimethyl-benzoic acid Openeye Name: 3-[[2-(2-furylmethylcarbamoyl)phenyl]sulfamoyl]-4,5-dimethyl-benzoic acid CAS Name: 3-[[2-[(2-furanylmethylamino)-oxomethyl]phenyl]sulfamoyl]-4,5-dimethylbenzoic acid IUPAC Name: 3-[[2-(furan-2-ylmethylcarbamoyl)phenyl]sulfamoyl]-4,5-dimethylbenzoic acid Traditional Name: 3-[[2-(2-furfurylcarbamoyl)phenyl]sulfamoyl]-4,5-dimethyl-benzoic acid Formula: C21H20N2O6S MolecularWeight: 428.4583

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)NC2=CC=CC=C2C(=O)NCC3=CC=CO3)C

Isomeric SMILES

CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)NC2=CC=CC=C2C(=O)NCC3=CC=CO3)C

InChI

InChI=1S/C21H20N2O6S/c1-13-10-15(21(25)26)11-19(14(13)2)30(27,28)23-18-8-4-3-7-17(18)20(24)22-12-16-6-5-9-29-16/h3-11,23H,12H2,1-2H3,(H,22,24)(H,25,26)