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

Systemtic Name: [4-[[butyl(2-phenylmethoxyethanoyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[(2-benzyloxyacetyl)-butyl-amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[butyl-(1-oxo-2-phenylmethoxyethyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[butyl-(2-phenylmethoxyacetyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[(2-benzoxyacetyl)-butyl-amino]methyl]phenyl] ester Formula: C21H27NO5S MolecularWeight: 405.50778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27NO5S/c1-3-4-14-22(21(23)17-26-16-19-8-6-5-7-9-19)15-18-10-12-20(13-11-18)27-28(2,24)25/h5-13H,3-4,14-17H2,1-2H3