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

Systemtic Name: [2-methoxy-5-[[2-methoxyethyl(3-phenylpropanoyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [2-methoxy-5-[[2-methoxyethyl(3-phenylpropanoyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [2-methoxy-5-[[2-methoxyethyl-(1-oxo-3-phenylpropyl)amino]methyl]phenyl] ester IUPAC Name: [2-methoxy-5-[[2-methoxyethyl(3-phenylpropanoyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [5-[[hydrocinnamoyl(2-methoxyethyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C21H27NO6S MolecularWeight: 421.50718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27NO6S/c1-26-14-13-22(21(23)12-10-17-7-5-4-6-8-17)16-18-9-11-19(27-2)20(15-18)28-29(3,24)25/h4-9,11,15H,10,12-14,16H2,1-3H3