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

Systemtic Name: [2-[[furan-2-ylcarbonyl(oxolan-2-ylmethyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [2-[[furan-2-carbonyl(tetrahydrofuran-2-ylmethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [2-[[[2-furanyl(oxo)methyl]-(2-oxolanylmethyl)amino]methyl]phenyl] ester IUPAC Name: [2-[[furan-2-carbonyl(oxolan-2-ylmethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [2-[[2-furoyl(tetrahydrofurfuryl)amino]methyl]phenyl] ester Formula: C23H22FNO6S MolecularWeight: 459.487283

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN(CC2=CC=CC=C2OS(=O)(=O)C3=CC=C(C=C3)F)C(=O)C4=CC=CO4

Isomeric SMILES

C1CC(OC1)CN(CC2=CC=CC=C2OS(=O)(=O)C3=CC=C(C=C3)F)C(=O)C4=CC=CO4

InChI

InChI=1S/C23H22FNO6S/c24-18-9-11-20(12-10-18)32(27,28)31-21-7-2-1-5-17(21)15-25(16-19-6-3-13-29-19)23(26)22-8-4-14-30-22/h1-2,4-5,7-12,14,19H,3,6,13,15-16H2