[2-methoxy-5-[[2-methoxyethanoyl(2-methoxyethyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate

Systemtic Name: [2-methoxy-5-[[2-methoxyethanoyl(2-methoxyethyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate Openeye Name: [2-methoxy-5-[[(2-methoxyacetyl)-(2-methoxyethyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic acid [2-methoxy-5-[[2-methoxyethyl-(2-methoxy-1-oxoethyl)amino]methyl]phenyl] ester IUPAC Name: [2-methoxy-5-[[(2-methoxyacetyl)-(2-methoxyethyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid [2-methoxy-5-[[(2-methoxyacetyl)-(2-methoxyethyl)amino]methyl]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)C2=CC=C(C=C2)OC)C(=O)COC

Isomeric SMILES

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

InChI

InChI=1S/C21H27NO8S/c1-26-12-11-22(21(23)15-27-2)14-16-5-10-19(29-4)20(13-16)30-31(24,25)18-8-6-17(28-3)7-9-18/h5-10,13H,11-12,14-15H2,1-4H3