[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 3-methylsulfonylbenzoate

Systemtic Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 3-methylsulfonylbenzoate Openeye Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxo-ethyl] 3-methylsulfonylbenzoate CAS Name: 3-methylsulfonylbenzoic acid [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 3-methylsulfonylbenzoate Traditional Name: 3-mesylbenzoic acid [2-keto-2-(veratrylamino)ethyl] ester Formula: C19H21NO7S MolecularWeight: 407.43754

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)C)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)C)OC

InChI

InChI=1S/C19H21NO7S/c1-25-16-8-7-13(9-17(16)26-2)11-20-18(21)12-27-19(22)14-5-4-6-15(10-14)28(3,23)24/h4-10H,11-12H2,1-3H3,(H,20,21)