[4-[[[(2S)-butan-2-yl]-(2-phenylmethoxyethanoyl)amino]methyl]phenyl] methanesulfonate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC1=CC=C(C=C1)OS(=O)(=O)C)C(=O)COCC2=CC=CC=C2

Isomeric SMILES

CC[C@H](C)N(CC1=CC=C(C=C1)OS(=O)(=O)C)C(=O)COCC2=CC=CC=C2

InChI

InChI=1S/C21H27NO5S/c1-4-17(2)22(21(23)16-26-15-19-8-6-5-7-9-19)14-18-10-12-20(13-11-18)27-28(3,24)25/h5-13,17H,4,14-16H2,1-3H3/t17-/m0/s1