[4-[[ethanoyl(furan-2-ylmethyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [4-[[ethanoyl(furan-2-ylmethyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-[[acetyl(2-furylmethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-[[acetyl(2-furanylmethyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[acetyl(furan-2-ylmethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-[[acetyl(2-furfuryl)amino]methyl]phenyl] ester Formula: C20H18FNO5S MolecularWeight: 403.424023

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)F)CC3=CC=CO3

Isomeric SMILES

CC(=O)N(CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)F)CC3=CC=CO3

InChI

InChI=1S/C20H18FNO5S/c1-15(23)22(14-19-3-2-12-26-19)13-16-4-8-18(9-5-16)27-28(24,25)20-10-6-17(21)7-11-20/h2-12H,13-14H2,1H3