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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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