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

Systemtic Name: [2-methoxy-5-[[2-methoxyethanoyl(propan-2-yl)amino]methyl]phenyl] 4-methoxybenzenesulfonate Openeye Name: [5-[[isopropyl-(2-methoxyacetyl)amino]methyl]-2-methoxy-phenyl] 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic acid [2-methoxy-5-[[(2-methoxy-1-oxoethyl)-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [2-methoxy-5-[[(2-methoxyacetyl)-propan-2-ylamino]methyl]phenyl] 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid [5-[[isopropyl-(2-methoxyacetyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C21H27NO7S MolecularWeight: 437.50658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27NO7S/c1-15(2)22(21(23)14-26-3)13-16-6-11-19(28-5)20(12-16)29-30(24,25)18-9-7-17(27-4)8-10-18/h6-12,15H,13-14H2,1-5H3