[2-methoxy-5-[[2-methoxyethyl(2-phenylmethoxyethanoyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [2-methoxy-5-[[2-methoxyethyl(2-phenylmethoxyethanoyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [5-[[(2-benzyloxyacetyl)-(2-methoxyethyl)amino]methyl]-2-methoxy-phenyl] methanesulfonate CAS Name: methanesulfonic acid [2-methoxy-5-[[2-methoxyethyl-(1-oxo-2-phenylmethoxyethyl)amino]methyl]phenyl] ester IUPAC Name: [2-methoxy-5-[[2-methoxyethyl-(2-phenylmethoxyacetyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [5-[[(2-benzoxyacetyl)-(2-methoxyethyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C21H27NO7S MolecularWeight: 437.50658

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Descriptors Computed from Structure

Canonical SMILES:

COCCN(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C)C(=O)COCC2=CC=CC=C2

Isomeric SMILES

COCCN(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C)C(=O)COCC2=CC=CC=C2

InChI

InChI=1S/C21H27NO7S/c1-26-12-11-22(21(23)16-28-15-17-7-5-4-6-8-17)14-18-9-10-19(27-2)20(13-18)29-30(3,24)25/h4-10,13H,11-12,14-16H2,1-3H3