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

Systemtic Name: [4-[[furan-2-ylmethyl-[(E)-3-phenylprop-2-enoyl]amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[2-furylmethyl-[(E)-3-phenylprop-2-enoyl]amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[2-furanylmethyl-[(E)-1-oxo-3-phenylprop-2-enyl]amino]methyl]phenyl] ester IUPAC Name: [4-[[furan-2-ylmethyl-[(E)-3-phenylprop-2-enoyl]amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[2-furfuryl-[(E)-3-phenylacryloyl]amino]methyl]phenyl] ester Formula: C22H21NO5S MolecularWeight: 411.47084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1=CC=C(C=C1)CN(CC2=CC=CO2)C(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)OC1=CC=C(C=C1)CN(CC2=CC=CO2)C(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C22H21NO5S/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/h2-15H,16-17H2,1H3/b14-11+