[1-[(2,4-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(tert-butylsulfamoyl)-4-chloranyl-benzoate

Systemtic Name: [1-[(2,4-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(tert-butylsulfamoyl)-4-chloranyl-benzoate Openeye Name: [2-(2,4-dimethylanilino)-1-methyl-2-oxo-ethyl] 3-(tert-butylsulfamoyl)-4-chloro-benzoate CAS Name: 3-(tert-butylsulfamoyl)-4-chlorobenzoic acid [1-(2,4-dimethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,4-dimethylanilino)-1-oxopropan-2-yl] 3-(tert-butylsulfamoyl)-4-chlorobenzoate Traditional Name: 3-(tert-butylsulfamoyl)-4-chloro-benzoic acid [2-(2,4-dimethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C22H27ClN2O5S MolecularWeight: 466.97818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27ClN2O5S/c1-13-7-10-18(14(2)11-13)24-20(26)15(3)30-21(27)16-8-9-17(23)19(12-16)31(28,29)25-22(4,5)6/h7-12,15,25H,1-6H3,(H,24,26)