[1-[(2,4-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-methylsulfonylbenzoate

Systemtic Name: [1-[(2,4-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-methylsulfonylbenzoate Openeye Name: [2-(2,4-dimethylanilino)-1-methyl-2-oxo-ethyl] 2-methylsulfonylbenzoate CAS Name: 2-methylsulfonylbenzoic acid [1-(2,4-dimethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,4-dimethylanilino)-1-oxopropan-2-yl] 2-methylsulfonylbenzoate Traditional Name: 2-mesylbenzoic acid [2-(2,4-dimethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C19H21NO5S MolecularWeight: 375.43874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(C)OC(=O)C2=CC=CC=C2S(=O)(=O)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C(C)OC(=O)C2=CC=CC=C2S(=O)(=O)C)C

InChI

InChI=1S/C19H21NO5S/c1-12-9-10-16(13(2)11-12)20-18(21)14(3)25-19(22)15-7-5-6-8-17(15)26(4,23)24/h5-11,14H,1-4H3,(H,20,21)