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

Systemtic Name: [4-[[[(2S)-butan-2-yl]-(2-phenylmethoxyethanoyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [4-[[(2-benzyloxyacetyl)-[(1S)-1-methylpropyl]amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic 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] ethanesulfonate Traditional Name: ethanesulfonic acid [4-[[(2-benzoxyacetyl)-[(1S)-1-methylpropyl]amino]methyl]phenyl] ester Formula: C22H29NO5S MolecularWeight: 419.53436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29NO5S/c1-4-18(3)23(22(24)17-27-16-20-9-7-6-8-10-20)15-19-11-13-21(14-12-19)28-29(25,26)5-2/h6-14,18H,4-5,15-17H2,1-3H3/t18-/m0/s1