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

Systemtic Name: [3-[[2-methylpropyl(2-phenoxyethanoyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [3-[[isobutyl-(2-phenoxyacetyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [3-[[2-methylpropyl-(1-oxo-2-phenoxyethyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[2-methylpropyl-(2-phenoxyacetyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [3-[[isobutyl-(2-phenoxyacetyl)amino]methyl]phenyl] ester Formula: C20H25NO5S MolecularWeight: 391.4812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25NO5S/c1-16(2)13-21(20(22)15-25-18-9-5-4-6-10-18)14-17-8-7-11-19(12-17)26-27(3,23)24/h4-12,16H,13-15H2,1-3H3