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

Systemtic Name: [2-[(3,4-dimethoxyphenyl)methyl-ethyl-amino]-2-oxidanylidene-ethyl] 2-methylsulfonylbenzoate Openeye Name: [2-[(3,4-dimethoxyphenyl)methyl-ethyl-amino]-2-oxo-ethyl] 2-methylsulfonylbenzoate CAS Name: 2-methylsulfonylbenzoic acid [2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-oxoethyl] 2-methylsulfonylbenzoate Traditional Name: 2-mesylbenzoic acid [2-[ethyl(veratryl)amino]-2-keto-ethyl] ester Formula: C21H25NO7S MolecularWeight: 435.4907

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC(=C(C=C1)OC)OC)C(=O)COC(=O)C2=CC=CC=C2S(=O)(=O)C

Isomeric SMILES

CCN(CC1=CC(=C(C=C1)OC)OC)C(=O)COC(=O)C2=CC=CC=C2S(=O)(=O)C

InChI

InChI=1S/C21H25NO7S/c1-5-22(13-15-10-11-17(27-2)18(12-15)28-3)20(23)14-29-21(24)16-8-6-7-9-19(16)30(4,25)26/h6-12H,5,13-14H2,1-4H3