[(2R)-1-[(3,4-dimethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(methylsulfonylmethyl)benzoate

Systemtic Name: [(2R)-1-[(3,4-dimethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(methylsulfonylmethyl)benzoate Openeye Name: [(1R)-2-(3,4-dimethoxyanilino)-1-methyl-2-oxo-ethyl] 3-(methylsulfonylmethyl)benzoate CAS Name: 3-(methylsulfonylmethyl)benzoic acid [(2R)-1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] 3-(methylsulfonylmethyl)benzoate Traditional Name: 3-(mesylmethyl)benzoic acid [(1R)-2-(3,4-dimethoxyanilino)-2-keto-1-methyl-ethyl] ester Formula: C20H23NO7S MolecularWeight: 421.46412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H](C(=O)NC1=CC(=C(C=C1)OC)OC)OC(=O)C2=CC(=CC=C2)CS(=O)(=O)C

InChI

InChI=1S/C20H23NO7S/c1-13(19(22)21-16-8-9-17(26-2)18(11-16)27-3)28-20(23)15-7-5-6-14(10-15)12-29(4,24)25/h5-11,13H,12H2,1-4H3,(H,21,22)/t13-/m1/s1