[5-[[(2,4-dimethoxyphenyl)carbonyl-(2-methoxyethyl)amino]methyl]-2-methoxy-phenyl] methanesulfonate

Systemtic Name: [5-[[(2,4-dimethoxyphenyl)carbonyl-(2-methoxyethyl)amino]methyl]-2-methoxy-phenyl] methanesulfonate Openeye Name: [5-[[(2,4-dimethoxybenzoyl)-(2-methoxyethyl)amino]methyl]-2-methoxy-phenyl] methanesulfonate CAS Name: methanesulfonic acid [5-[[[(2,4-dimethoxyphenyl)-oxomethyl]-(2-methoxyethyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[(2,4-dimethoxybenzoyl)-(2-methoxyethyl)amino]methyl]-2-methoxyphenyl] methanesulfonate Traditional Name: methanesulfonic acid [5-[[(2,4-dimethoxybenzoyl)-(2-methoxyethyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C21H27NO8S MolecularWeight: 453.50598

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Descriptors Computed from Structure

Canonical SMILES:

COCCN(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C)C(=O)C2=C(C=C(C=C2)OC)OC

Isomeric SMILES

COCCN(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C)C(=O)C2=C(C=C(C=C2)OC)OC

InChI

InChI=1S/C21H27NO8S/c1-26-11-10-22(21(23)17-8-7-16(27-2)13-19(17)29-4)14-15-6-9-18(28-3)20(12-15)30-31(5,24)25/h6-9,12-13H,10-11,14H2,1-5H3