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

Systemtic Name: [5-[[cyclobutylcarbonyl(furan-2-ylmethyl)amino]methyl]-2-methoxy-phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [5-[[cyclobutanecarbonyl(2-furylmethyl)amino]methyl]-2-methoxy-phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [5-[[[cyclobutyl(oxo)methyl]-(2-furanylmethyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[cyclobutanecarbonyl(furan-2-ylmethyl)amino]methyl]-2-methoxyphenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [5-[[cyclobutanecarbonyl(2-furfuryl)amino]methyl]-2-methoxy-phenyl] ester Formula: C24H24FNO6S MolecularWeight: 473.513863

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN(CC2=CC=CO2)C(=O)C3CCC3)OS(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

COC1=C(C=C(C=C1)CN(CC2=CC=CO2)C(=O)C3CCC3)OS(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C24H24FNO6S/c1-30-22-12-7-17(14-23(22)32-33(28,29)21-10-8-19(25)9-11-21)15-26(16-20-6-3-13-31-20)24(27)18-4-2-5-18/h3,6-14,18H,2,4-5,15-16H2,1H3