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

Systemtic Name: [3-[[(4-bromophenyl)carbonyl-(furan-2-ylmethyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[(4-bromobenzoyl)-(2-furylmethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[[(4-bromophenyl)-oxomethyl]-(2-furanylmethyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[(4-bromobenzoyl)-(furan-2-ylmethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[(4-bromobenzoyl)-(2-furfuryl)amino]methyl]phenyl] ester Formula: C25H19BrFNO5S MolecularWeight: 544.389463

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OS(=O)(=O)C2=CC=C(C=C2)F)CN(CC3=CC=CO3)C(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC(=CC(=C1)OS(=O)(=O)C2=CC=C(C=C2)F)CN(CC3=CC=CO3)C(=O)C4=CC=C(C=C4)Br

InChI

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