[2-methoxy-5-[[2-methylpropyl-[(E)-3-phenylprop-2-enoyl]amino]methyl]phenyl] methanesulfonate

Systemtic Name: [2-methoxy-5-[[2-methylpropyl-[(E)-3-phenylprop-2-enoyl]amino]methyl]phenyl] methanesulfonate Openeye Name: [5-[[isobutyl-[(E)-3-phenylprop-2-enoyl]amino]methyl]-2-methoxy-phenyl] methanesulfonate CAS Name: methanesulfonic acid [2-methoxy-5-[[2-methylpropyl-[(E)-1-oxo-3-phenylprop-2-enyl]amino]methyl]phenyl] ester IUPAC Name: [2-methoxy-5-[[2-methylpropyl-[(E)-3-phenylprop-2-enoyl]amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [5-[[isobutyl-[(E)-3-phenylacryloyl]amino]methyl]-2-methoxy-phenyl] ester Formula: C22H27NO5S MolecularWeight: 417.51848

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C)C(=O)C=CC2=CC=CC=C2

Isomeric SMILES

CC(C)CN(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C)C(=O)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C22H27NO5S/c1-17(2)15-23(22(24)13-11-18-8-6-5-7-9-18)16-19-10-12-20(27-3)21(14-19)28-29(4,25)26/h5-14,17H,15-16H2,1-4H3/b13-11+