[5-[[furan-2-ylmethyl(3-phenylprop-2-enoyl)amino]methyl]-2-methoxy-phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [5-[[furan-2-ylmethyl(3-phenylprop-2-enoyl)amino]methyl]-2-methoxy-phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [5-[[2-furylmethyl(3-phenylprop-2-enoyl)amino]methyl]-2-methoxy-phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [5-[[2-furanylmethyl-(1-oxo-3-phenylprop-2-enyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[furan-2-ylmethyl(3-phenylprop-2-enoyl)amino]methyl]-2-methoxyphenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [5-[[cinnamoyl(2-furfuryl)amino]methyl]-2-methoxy-phenyl] ester Formula: C28H24FNO6S MolecularWeight: 521.556663

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN(CC2=CC=CO2)C(=O)C=CC3=CC=CC=C3)OS(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

COC1=C(C=C(C=C1)CN(CC2=CC=CO2)C(=O)C=CC3=CC=CC=C3)OS(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C28H24FNO6S/c1-34-26-15-9-22(18-27(26)36-37(32,33)25-13-11-23(29)12-14-25)19-30(20-24-8-5-17-35-24)28(31)16-10-21-6-3-2-4-7-21/h2-18H,19-20H2,1H3