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

Systemtic Name: [1-[(2,5-dimethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-chloranyl-5-methylsulfonyl-benzoate Openeye Name: [2-(2,5-dimethoxyanilino)-1-methyl-2-oxo-ethyl] 2-chloro-5-methylsulfonyl-benzoate CAS Name: 2-chloro-5-methylsulfonylbenzoic acid [1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl] 2-chloro-5-methylsulfonylbenzoate Traditional Name: 2-chloro-5-mesyl-benzoic acid [2-(2,5-dimethoxyanilino)-2-keto-1-methyl-ethyl] ester Formula: C19H20ClNO7S MolecularWeight: 441.8826

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)OC)OC)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)C)Cl

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)OC)OC)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)C)Cl

InChI

InChI=1S/C19H20ClNO7S/c1-11(18(22)21-16-9-12(26-2)5-8-17(16)27-3)28-19(23)14-10-13(29(4,24)25)6-7-15(14)20/h5-11H,1-4H3,(H,21,22)