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

Systemtic Name: [2-methoxy-5-[[[(E)-3-phenylprop-2-enoyl]-propan-2-yl-amino]methyl]phenyl] methanesulfonate Openeye Name: [5-[[isopropyl-[(E)-3-phenylprop-2-enoyl]amino]methyl]-2-methoxy-phenyl] methanesulfonate CAS Name: methanesulfonic acid [2-methoxy-5-[[[(E)-1-oxo-3-phenylprop-2-enyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [2-methoxy-5-[[[(E)-3-phenylprop-2-enoyl]-propan-2-ylamino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [5-[[isopropyl-[(E)-3-phenylacryloyl]amino]methyl]-2-methoxy-phenyl] ester Formula: C21H25NO5S MolecularWeight: 403.4919

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO5S/c1-16(2)22(21(23)13-11-17-8-6-5-7-9-17)15-18-10-12-19(26-3)20(14-18)27-28(4,24)25/h5-14,16H,15H2,1-4H3/b13-11+