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

Systemtic Name: [3-[[furan-2-ylmethyl(2-phenylbutanoyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[2-furylmethyl(2-phenylbutanoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[2-furanylmethyl-(1-oxo-2-phenylbutyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[furan-2-ylmethyl(2-phenylbutanoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[2-furfuryl(2-phenylbutanoyl)amino]methyl]phenyl] ester Formula: C28H26FNO5S MolecularWeight: 507.573143

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H26FNO5S/c1-2-27(22-9-4-3-5-10-22)28(31)30(20-25-12-7-17-34-25)19-21-8-6-11-24(18-21)35-36(32,33)26-15-13-23(29)14-16-26/h3-18,27H,2,19-20H2,1H3