[5-[[furan-2-ylmethyl(naphthalen-1-ylcarbonyl)amino]methyl]-2-methoxy-phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [5-[[furan-2-ylmethyl(naphthalen-1-ylcarbonyl)amino]methyl]-2-methoxy-phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [5-[[2-furylmethyl(naphthalene-1-carbonyl)amino]methyl]-2-methoxy-phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [5-[[2-furanylmethyl-[1-naphthalenyl(oxo)methyl]amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[furan-2-ylmethyl(naphthalene-1-carbonyl)amino]methyl]-2-methoxyphenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [5-[[2-furfuryl(1-naphthoyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C30H24FNO6S MolecularWeight: 545.578063

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN(CC2=CC=CO2)C(=O)C3=CC=CC4=CC=CC=C43)OS(=O)(=O)C5=CC=C(C=C5)F

Isomeric SMILES

COC1=C(C=C(C=C1)CN(CC2=CC=CO2)C(=O)C3=CC=CC4=CC=CC=C43)OS(=O)(=O)C5=CC=C(C=C5)F

InChI

InChI=1S/C30H24FNO6S/c1-36-28-16-11-21(18-29(28)38-39(34,35)25-14-12-23(31)13-15-25)19-32(20-24-8-5-17-37-24)30(33)27-10-4-7-22-6-2-3-9-26(22)27/h2-18H,19-20H2,1H3