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

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

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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(=CC=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(=CC=C4)Br

InChI

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