[2-[(3,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 2-methyl-5-methylsulfonyl-benzoate

Systemtic Name: [2-[(3,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 2-methyl-5-methylsulfonyl-benzoate Openeye Name: [2-(3,4-dimethylanilino)-2-oxo-ethyl] 2-methyl-5-methylsulfonyl-benzoate CAS Name: 2-methyl-5-methylsulfonylbenzoic acid [2-(3,4-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethylanilino)-2-oxoethyl] 2-methyl-5-methylsulfonylbenzoate Traditional Name: 5-mesyl-2-methyl-benzoic acid [2-(3,4-dimethylanilino)-2-keto-ethyl] ester Formula: C19H21NO5S MolecularWeight: 375.43874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21NO5S/c1-12-5-7-15(9-14(12)3)20-18(21)11-25-19(22)17-10-16(26(4,23)24)8-6-13(17)2/h5-10H,11H2,1-4H3,(H,20,21)