[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 3-(furan-2-ylmethylsulfamoyl)benzoate

Systemtic Name: [2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 3-(furan-2-ylmethylsulfamoyl)benzoate Openeye Name: [2-(3,5-dimethylanilino)-2-oxo-ethyl] 3-(2-furylmethylsulfamoyl)benzoate CAS Name: 3-(2-furanylmethylsulfamoyl)benzoic acid [2-(3,5-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dimethylanilino)-2-oxoethyl] 3-(furan-2-ylmethylsulfamoyl)benzoate Traditional Name: 3-(2-furfurylsulfamoyl)benzoic acid [2-(3,5-dimethylanilino)-2-keto-ethyl] ester Formula: C22H22N2O6S MolecularWeight: 442.48488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)NCC3=CC=CO3)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)NCC3=CC=CO3)C

InChI

InChI=1S/C22H22N2O6S/c1-15-9-16(2)11-18(10-15)24-21(25)14-30-22(26)17-5-3-7-20(12-17)31(27,28)23-13-19-6-4-8-29-19/h3-12,23H,13-14H2,1-2H3,(H,24,25)