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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CN(CC2=CC=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)F)C(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

C1=COC(=C1)CN(CC2=CC=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)F)C(=O)C4=CC=C(C=C4)Br

InChI

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