[4-[[[(2R)-oxolan-2-yl]methyl-(3-phenylpropanoyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[[(2R)-oxolan-2-yl]methyl-(3-phenylpropanoyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[3-phenylpropanoyl-[[(2R)-tetrahydrofuran-2-yl]methyl]amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[[(2R)-2-oxolanyl]methyl-(1-oxo-3-phenylpropyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[[(2R)-oxolan-2-yl]methyl-(3-phenylpropanoyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[hydrocinnamoyl-[[(2R)-tetrahydrofuran-2-yl]methyl]amino]methyl]phenyl] ester Formula: C22H27NO5S MolecularWeight: 417.51848

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1=CC=C(C=C1)CN(CC2CCCO2)C(=O)CCC3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)OC1=CC=C(C=C1)CN(C[C@H]2CCCO2)C(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C22H27NO5S/c1-29(25,26)28-20-12-9-19(10-13-20)16-23(17-21-8-5-15-27-21)22(24)14-11-18-6-3-2-4-7-18/h2-4,6-7,9-10,12-13,21H,5,8,11,14-17H2,1H3/t21-/m1/s1