[3-[[furan-2-ylmethyl(3-phenylpropanoyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [3-[[furan-2-ylmethyl(3-phenylpropanoyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[2-furylmethyl(3-phenylpropanoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[2-furanylmethyl-(1-oxo-3-phenylpropyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[furan-2-ylmethyl(3-phenylpropanoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[2-furfuryl(hydrocinnamoyl)amino]methyl]phenyl] ester Formula: C27H24FNO5S MolecularWeight: 493.546563

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)N(CC2=CC(=CC=C2)OS(=O)(=O)C3=CC=C(C=C3)F)CC4=CC=CO4

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)N(CC2=CC(=CC=C2)OS(=O)(=O)C3=CC=C(C=C3)F)CC4=CC=CO4

InChI

InChI=1S/C27H24FNO5S/c28-23-12-14-26(15-13-23)35(31,32)34-24-9-4-8-22(18-24)19-29(20-25-10-5-17-33-25)27(30)16-11-21-6-2-1-3-7-21/h1-10,12-15,17-18H,11,16,19-20H2