[1-[(3,5-dimethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-methyl-5-methylsulfonyl-benzoate

Systemtic Name: [1-[(3,5-dimethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-methyl-5-methylsulfonyl-benzoate Openeye Name: [2-(3,5-dimethoxyanilino)-1-methyl-2-oxo-ethyl] 2-methyl-5-methylsulfonyl-benzoate CAS Name: 2-methyl-5-methylsulfonylbenzoic acid [1-(3,5-dimethoxyanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3,5-dimethoxyanilino)-1-oxopropan-2-yl] 2-methyl-5-methylsulfonylbenzoate Traditional Name: 5-mesyl-2-methyl-benzoic acid [2-(3,5-dimethoxyanilino)-2-keto-1-methyl-ethyl] ester Formula: C20H23NO7S MolecularWeight: 421.46412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OC(C)C(=O)NC2=CC(=CC(=C2)OC)OC

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OC(C)C(=O)NC2=CC(=CC(=C2)OC)OC

InChI

InChI=1S/C20H23NO7S/c1-12-6-7-17(29(5,24)25)11-18(12)20(23)28-13(2)19(22)21-14-8-15(26-3)10-16(9-14)27-4/h6-11,13H,1-5H3,(H,21,22)