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

Systemtic Name: [4-[[[(2S)-butan-2-yl]-(2-phenylethanoyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[[(1S)-1-methylpropyl]-(2-phenylacetyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[[(2S)-butan-2-yl]-(1-oxo-2-phenylethyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[[(2S)-butan-2-yl]-(2-phenylacetyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[[(1S)-1-methylpropyl]-(2-phenylacetyl)amino]methyl]phenyl] ester Formula: C20H25NO4S MolecularWeight: 375.4818

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC1=CC=C(C=C1)OS(=O)(=O)C)C(=O)CC2=CC=CC=C2

Isomeric SMILES

CC[C@H](C)N(CC1=CC=C(C=C1)OS(=O)(=O)C)C(=O)CC2=CC=CC=C2

InChI

InChI=1S/C20H25NO4S/c1-4-16(2)21(20(22)14-17-8-6-5-7-9-17)15-18-10-12-19(13-11-18)25-26(3,23)24/h5-13,16H,4,14-15H2,1-3H3/t16-/m0/s1