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

Systemtic Name: [2-methoxy-5-[[2-methoxyethyl-[(E)-3-phenylprop-2-enoyl]amino]methyl]phenyl] methanesulfonate Openeye Name: [2-methoxy-5-[[2-methoxyethyl-[(E)-3-phenylprop-2-enoyl]amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [2-methoxy-5-[[2-methoxyethyl-[(E)-1-oxo-3-phenylprop-2-enyl]amino]methyl]phenyl] ester IUPAC Name: [2-methoxy-5-[[2-methoxyethyl-[(E)-3-phenylprop-2-enoyl]amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [2-methoxy-5-[[2-methoxyethyl-[(E)-3-phenylacryloyl]amino]methyl]phenyl] ester Formula: C21H25NO6S MolecularWeight: 419.4913

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO6S/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/h4-12,15H,13-14,16H2,1-3H3/b12-10+