[4-[[3-methylbutyl(2-phenylmethoxyethanoyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[3-methylbutyl(2-phenylmethoxyethanoyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[(2-benzyloxyacetyl)-isopentyl-amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[3-methylbutyl-(1-oxo-2-phenylmethoxyethyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[3-methylbutyl-(2-phenylmethoxyacetyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[(2-benzoxyacetyl)-isoamyl-amino]methyl]phenyl] ester Formula: C22H29NO5S MolecularWeight: 419.53436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29NO5S/c1-18(2)13-14-23(22(24)17-27-16-20-7-5-4-6-8-20)15-19-9-11-21(12-10-19)28-29(3,25)26/h4-12,18H,13-17H2,1-3H3