[4-[[3-methoxypropyl-[(E)-3-phenylprop-2-enoyl]amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[3-methoxypropyl-[(E)-3-phenylprop-2-enoyl]amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[3-methoxypropyl-[(E)-3-phenylprop-2-enoyl]amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[3-methoxypropyl-[(E)-1-oxo-3-phenylprop-2-enyl]amino]methyl]phenyl] ester IUPAC Name: [4-[[3-methoxypropyl-[(E)-3-phenylprop-2-enoyl]amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[3-methoxypropyl-[(E)-3-phenylacryloyl]amino]methyl]phenyl] ester Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN(CC1=CC=C(C=C1)OS(=O)(=O)C)C(=O)C=CC2=CC=CC=C2

Isomeric SMILES

COCCCN(CC1=CC=C(C=C1)OS(=O)(=O)C)C(=O)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C21H25NO5S/c1-26-16-6-15-22(21(23)14-11-18-7-4-3-5-8-18)17-19-9-12-20(13-10-19)27-28(2,24)25/h3-5,7-14H,6,15-17H2,1-2H3/b14-11+