[2-[(3,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 4-chloranyl-3-(oxolan-2-ylmethylsulfamoyl)benzoate

Systemtic Name: [2-[(3,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 4-chloranyl-3-(oxolan-2-ylmethylsulfamoyl)benzoate Openeye Name: [2-(3,4-dimethylanilino)-2-oxo-ethyl] 4-chloro-3-(tetrahydrofuran-2-ylmethylsulfamoyl)benzoate CAS Name: 4-chloro-3-(2-oxolanylmethylsulfamoyl)benzoic acid [2-(3,4-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethylanilino)-2-oxoethyl] 4-chloro-3-(oxolan-2-ylmethylsulfamoyl)benzoate Traditional Name: 4-chloro-3-(tetrahydrofurfurylsulfamoyl)benzoic acid [2-(3,4-dimethylanilino)-2-keto-ethyl] ester Formula: C22H25ClN2O6S MolecularWeight: 480.9617

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)NCC3CCCO3)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)NCC3CCCO3)C

InChI

InChI=1S/C22H25ClN2O6S/c1-14-5-7-17(10-15(14)2)25-21(26)13-31-22(27)16-6-8-19(23)20(11-16)32(28,29)24-12-18-4-3-9-30-18/h5-8,10-11,18,24H,3-4,9,12-13H2,1-2H3,(H,25,26)