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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H23BrFNO4S/c1-3-17(2)27(24(28)19-7-9-20(25)10-8-19)16-18-5-4-6-22(15-18)31-32(29,30)23-13-11-21(26)12-14-23/h4-15,17H,3,16H2,1-2H3