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

Systemtic Name: [4-[[(2-bromophenyl)carbonyl-(furan-2-ylmethyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-[[(2-bromobenzoyl)-(2-furylmethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-[[[(2-bromophenyl)-oxomethyl]-(2-furanylmethyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[(2-bromobenzoyl)-(furan-2-ylmethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-[[(2-bromobenzoyl)-(2-furfuryl)amino]methyl]phenyl] ester Formula: C25H19BrFNO5S MolecularWeight: 544.389463

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H19BrFNO5S/c26-24-6-2-1-5-23(24)25(29)28(17-21-4-3-15-32-21)16-18-7-11-20(12-8-18)33-34(30,31)22-13-9-19(27)10-14-22/h1-15H,16-17H2