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

Systemtic Name: [5-[[furan-2-ylmethyl(phenylsulfonyl)amino]methyl]-2-methoxy-phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [5-[[benzenesulfonyl(2-furylmethyl)amino]methyl]-2-methoxy-phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [5-[[benzenesulfonyl(2-furanylmethyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[benzenesulfonyl(furan-2-ylmethyl)amino]methyl]-2-methoxyphenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [5-[[besyl(2-furfuryl)amino]methyl]-2-methoxy-phenyl] ester Formula: C25H22FNO7S2 MolecularWeight: 531.573083

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H22FNO7S2/c1-32-24-14-9-19(16-25(24)34-36(30,31)23-12-10-20(26)11-13-23)17-27(18-21-6-5-15-33-21)35(28,29)22-7-3-2-4-8-22/h2-16H,17-18H2,1H3