[3-[[2-methylpropyl(2-phenylmethoxyethanoyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [3-[[2-methylpropyl(2-phenylmethoxyethanoyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [3-[[(2-benzyloxyacetyl)-isobutyl-amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [3-[[2-methylpropyl-(1-oxo-2-phenylmethoxyethyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[2-methylpropyl-(2-phenylmethoxyacetyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [3-[[(2-benzoxyacetyl)-isobutyl-amino]methyl]phenyl] ester Formula: C21H27NO5S MolecularWeight: 405.50778

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC1=CC(=CC=C1)OS(=O)(=O)C)C(=O)COCC2=CC=CC=C2

Isomeric SMILES

CC(C)CN(CC1=CC(=CC=C1)OS(=O)(=O)C)C(=O)COCC2=CC=CC=C2

InChI

InChI=1S/C21H27NO5S/c1-17(2)13-22(21(23)16-26-15-18-8-5-4-6-9-18)14-19-10-7-11-20(12-19)27-28(3,24)25/h4-12,17H,13-16H2,1-3H3