[2-methoxy-5-[[3-phenylpropanoyl(propan-2-yl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [2-methoxy-5-[[3-phenylpropanoyl(propan-2-yl)amino]methyl]phenyl] methanesulfonate Openeye Name: [5-[[isopropyl(3-phenylpropanoyl)amino]methyl]-2-methoxy-phenyl] methanesulfonate CAS Name: methanesulfonic acid [2-methoxy-5-[[(1-oxo-3-phenylpropyl)-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [2-methoxy-5-[[3-phenylpropanoyl(propan-2-yl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [5-[[hydrocinnamoyl(isopropyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C21H27NO5S MolecularWeight: 405.50778

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C)C(=O)CCC2=CC=CC=C2

Isomeric SMILES

CC(C)N(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C)C(=O)CCC2=CC=CC=C2

InChI

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