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

Systemtic Name: [2-methoxy-5-[[2-phenylmethoxyethanoyl(propan-2-yl)amino]methyl]phenyl] methanesulfonate Openeye Name: [5-[[(2-benzyloxyacetyl)-isopropyl-amino]methyl]-2-methoxy-phenyl] methanesulfonate CAS Name: methanesulfonic acid [2-methoxy-5-[[(1-oxo-2-phenylmethoxyethyl)-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [2-methoxy-5-[[(2-phenylmethoxyacetyl)-propan-2-ylamino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [5-[[(2-benzoxyacetyl)-isopropyl-amino]methyl]-2-methoxy-phenyl] ester Formula: C21H27NO6S MolecularWeight: 421.50718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27NO6S/c1-16(2)22(21(23)15-27-14-17-8-6-5-7-9-17)13-18-10-11-19(26-3)20(12-18)28-29(4,24)25/h5-12,16H,13-15H2,1-4H3