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

Systemtic Name: [4-[[(3-bromophenyl)carbonyl-(2-methylpropyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-[[(3-bromobenzoyl)-isobutyl-amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-[[[(3-bromophenyl)-oxomethyl]-(2-methylpropyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[(3-bromobenzoyl)-(2-methylpropyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-[[(3-bromobenzoyl)-isobutyl-amino]methyl]phenyl] ester Formula: C24H23BrFNO4S MolecularWeight: 520.411123

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

CC(C)CN(CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C24H23BrFNO4S/c1-17(2)15-27(24(28)19-4-3-5-20(25)14-19)16-18-6-10-22(11-7-18)31-32(29,30)23-12-8-21(26)9-13-23/h3-14,17H,15-16H2,1-2H3