[5-[[furan-2-ylmethyl(2-phenoxyethanoyl)amino]methyl]-2-methoxy-phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [5-[[furan-2-ylmethyl(2-phenoxyethanoyl)amino]methyl]-2-methoxy-phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [5-[[2-furylmethyl-(2-phenoxyacetyl)amino]methyl]-2-methoxy-phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [5-[[2-furanylmethyl-(1-oxo-2-phenoxyethyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[furan-2-ylmethyl-(2-phenoxyacetyl)amino]methyl]-2-methoxyphenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [5-[[2-furfuryl-(2-phenoxyacetyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C27H24FNO7S MolecularWeight: 525.545363

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN(CC2=CC=CO2)C(=O)COC3=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)COC3=CC=CC=C3)OS(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C27H24FNO7S/c1-33-25-14-9-20(16-26(25)36-37(31,32)24-12-10-21(28)11-13-24)17-29(18-23-8-5-15-34-23)27(30)19-35-22-6-3-2-4-7-22/h2-16H,17-19H2,1H3