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

Systemtic Name: [3-[[ethanoyl(furan-2-ylmethyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[acetyl(2-furylmethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[acetyl(2-furanylmethyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[acetyl(furan-2-ylmethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[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(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)F)CC3=CC=CO3

Isomeric SMILES

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

InChI

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