[1-[(2,5-dimethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-methylsulfonylbenzoate

Systemtic Name: [1-[(2,5-dimethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-methylsulfonylbenzoate Openeye Name: [2-(2,5-dimethoxyanilino)-1-methyl-2-oxo-ethyl] 3-methylsulfonylbenzoate CAS Name: 3-methylsulfonylbenzoic acid [1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl] 3-methylsulfonylbenzoate Traditional Name: 3-mesylbenzoic acid [2-(2,5-dimethoxyanilino)-2-keto-1-methyl-ethyl] ester Formula: C19H21NO7S MolecularWeight: 407.43754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21NO7S/c1-12(18(21)20-16-11-14(25-2)8-9-17(16)26-3)27-19(22)13-6-5-7-15(10-13)28(4,23)24/h5-12H,1-4H3,(H,20,21)