[2-[[4-methyl-3-(methylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-(2-methylpropyl)benzoate

Systemtic Name: [2-[[4-methyl-3-(methylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-(2-methylpropyl)benzoate Openeye Name: [2-[4-methyl-3-(methylsulfamoyl)anilino]-2-oxo-ethyl] 4-isobutylbenzoate CAS Name: 4-(2-methylpropyl)benzoic acid [2-[4-methyl-3-(methylsulfamoyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-methyl-3-(methylsulfamoyl)anilino]-2-oxoethyl] 4-(2-methylpropyl)benzoate Traditional Name: 4-isobutylbenzoic acid [2-keto-2-[4-methyl-3-(methylsulfamoyl)anilino]ethyl] ester Formula: C21H26N2O5S MolecularWeight: 418.50654

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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)CC(C)C)S(=O)(=O)NC

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O5S/c1-14(2)11-16-6-8-17(9-7-16)21(25)28-13-20(24)23-18-10-5-15(3)19(12-18)29(26,27)22-4/h5-10,12,14,22H,11,13H2,1-4H3,(H,23,24)