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

Systemtic Name: [5-[[furan-2-ylmethyl(naphthalen-2-ylcarbonyl)amino]methyl]-2-methoxy-phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [5-[[2-furylmethyl(naphthalene-2-carbonyl)amino]methyl]-2-methoxy-phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [5-[[2-furanylmethyl-[2-naphthalenyl(oxo)methyl]amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[furan-2-ylmethyl(naphthalene-2-carbonyl)amino]methyl]-2-methoxyphenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [5-[[2-furfuryl(2-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=CC4=CC=CC=C4C=C3)OS(=O)(=O)C5=CC=C(C=C5)F

Isomeric SMILES

COC1=C(C=C(C=C1)CN(CC2=CC=CO2)C(=O)C3=CC4=CC=CC=C4C=C3)OS(=O)(=O)C5=CC=C(C=C5)F

InChI

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