[5-[[1,3-benzodioxol-5-ylcarbonyl(furan-2-ylmethyl)amino]methyl]-2-methoxy-phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [5-[[1,3-benzodioxol-5-ylcarbonyl(furan-2-ylmethyl)amino]methyl]-2-methoxy-phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [5-[[1,3-benzodioxole-5-carbonyl(2-furylmethyl)amino]methyl]-2-methoxy-phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [5-[[[1,3-benzodioxol-5-yl(oxo)methyl]-(2-furanylmethyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[1,3-benzodioxole-5-carbonyl(furan-2-ylmethyl)amino]methyl]-2-methoxyphenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [5-[[2-furfuryl(piperonyloyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C27H22FNO8S MolecularWeight: 539.528883

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN(CC2=CC=CO2)C(=O)C3=CC4=C(C=C3)OCO4)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=C(C=C3)OCO4)OS(=O)(=O)C5=CC=C(C=C5)F

InChI

InChI=1S/C27H22FNO8S/c1-33-23-10-4-18(13-26(23)37-38(31,32)22-8-6-20(28)7-9-22)15-29(16-21-3-2-12-34-21)27(30)19-5-11-24-25(14-19)36-17-35-24/h2-14H,15-17H2,1H3