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

Systemtic Name: [2-methoxy-5-[[2-methylpropyl(2-phenoxyethanoyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [5-[[isobutyl-(2-phenoxyacetyl)amino]methyl]-2-methoxy-phenyl] methanesulfonate CAS Name: methanesulfonic acid [2-methoxy-5-[[2-methylpropyl-(1-oxo-2-phenoxyethyl)amino]methyl]phenyl] ester IUPAC Name: [2-methoxy-5-[[2-methylpropyl-(2-phenoxyacetyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [5-[[isobutyl-(2-phenoxyacetyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C21H27NO6S MolecularWeight: 421.50718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C)C(=O)COC2=CC=CC=C2

Isomeric SMILES

CC(C)CN(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C)C(=O)COC2=CC=CC=C2

InChI

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