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

Systemtic Name: [3-[[(2-chlorophenyl)carbonyl-(furan-2-ylmethyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[(2-chlorobenzoyl)-(2-furylmethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[[(2-chlorophenyl)-oxomethyl]-(2-furanylmethyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[(2-chlorobenzoyl)-(furan-2-ylmethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[(2-chlorobenzoyl)-(2-furfuryl)amino]methyl]phenyl] ester Formula: C25H19ClFNO5S MolecularWeight: 499.938463

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)N(CC2=CC(=CC=C2)OS(=O)(=O)C3=CC=C(C=C3)F)CC4=CC=CO4)Cl

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)N(CC2=CC(=CC=C2)OS(=O)(=O)C3=CC=C(C=C3)F)CC4=CC=CO4)Cl

InChI

InChI=1S/C25H19ClFNO5S/c26-24-9-2-1-8-23(24)25(29)28(17-21-7-4-14-32-21)16-18-5-3-6-20(15-18)33-34(30,31)22-12-10-19(27)11-13-22/h1-15H,16-17H2