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

Systemtic Name: [2-methoxy-5-[[2-methylpropyl(2-phenylmethoxyethanoyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [5-[[(2-benzyloxyacetyl)-isobutyl-amino]methyl]-2-methoxy-phenyl] methanesulfonate CAS Name: methanesulfonic acid [2-methoxy-5-[[2-methylpropyl-(1-oxo-2-phenylmethoxyethyl)amino]methyl]phenyl] ester IUPAC Name: [2-methoxy-5-[[2-methylpropyl-(2-phenylmethoxyacetyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [5-[[(2-benzoxyacetyl)-isobutyl-amino]methyl]-2-methoxy-phenyl] ester Formula: C22H29NO6S MolecularWeight: 435.53376

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29NO6S/c1-17(2)13-23(22(24)16-28-15-18-8-6-5-7-9-18)14-19-10-11-20(27-3)21(12-19)29-30(4,25)26/h5-12,17H,13-16H2,1-4H3