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

Systemtic Name: 3-[[2-(furan-2-ylmethylcarbamoyl)phenyl]-methyl-sulfamoyl]-4,5-dimethyl-benzoic acid Openeye Name: 3-[[2-(2-furylmethylcarbamoyl)phenyl]-methyl-sulfamoyl]-4,5-dimethyl-benzoic acid CAS Name: 3-[[2-[(2-furanylmethylamino)-oxomethyl]phenyl]-methylsulfamoyl]-4,5-dimethylbenzoic acid IUPAC Name: 3-[[2-(furan-2-ylmethylcarbamoyl)phenyl]-methylsulfamoyl]-4,5-dimethylbenzoic acid Traditional Name: 3-[[2-(2-furfurylcarbamoyl)phenyl]-methyl-sulfamoyl]-4,5-dimethyl-benzoic acid Formula: C22H22N2O6S MolecularWeight: 442.48488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)N(C)C2=CC=CC=C2C(=O)NCC3=CC=CO3)C

Isomeric SMILES

CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)N(C)C2=CC=CC=C2C(=O)NCC3=CC=CO3)C

InChI

InChI=1S/C22H22N2O6S/c1-14-11-16(22(26)27)12-20(15(14)2)31(28,29)24(3)19-9-5-4-8-18(19)21(25)23-13-17-7-6-10-30-17/h4-12H,13H2,1-3H3,(H,23,25)(H,26,27)