[4-[[oxolan-2-ylmethyl(3-phenylprop-2-enoyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[oxolan-2-ylmethyl(3-phenylprop-2-enoyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[3-phenylprop-2-enoyl(tetrahydrofuran-2-ylmethyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[2-oxolanylmethyl-(1-oxo-3-phenylprop-2-enyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[oxolan-2-ylmethyl(3-phenylprop-2-enoyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[cinnamoyl(tetrahydrofurfuryl)amino]methyl]phenyl] ester Formula: C22H25NO5S MolecularWeight: 415.5026

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1=CC=C(C=C1)CN(CC2CCCO2)C(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)OC1=CC=C(C=C1)CN(CC2CCCO2)C(=O)C=CC3=CC=CC=C3

InChI

InChI=1S/C22H25NO5S/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/h2-4,6-7,9-14,21H,5,8,15-17H2,1H3