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

Systemtic Name: [4-[[(3-bromophenyl)carbonyl-(furan-2-ylmethyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-[[(3-bromobenzoyl)-(2-furylmethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-[[[(3-bromophenyl)-oxomethyl]-(2-furanylmethyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[(3-bromobenzoyl)-(furan-2-ylmethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-[[(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)Br)C(=O)N(CC2=CC=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)F)CC4=CC=CO4

Isomeric SMILES

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

InChI

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