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

Systemtic Name: [3-[[(4-bromophenyl)carbonyl-(2-methoxyethyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[(4-bromobenzoyl)-(2-methoxyethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[[(4-bromophenyl)-oxomethyl]-(2-methoxyethyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[(4-bromobenzoyl)-(2-methoxyethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[(4-bromobenzoyl)-(2-methoxyethyl)amino]methyl]phenyl] ester Formula: C23H21BrFNO5S MolecularWeight: 522.383943

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21BrFNO5S/c1-30-14-13-26(23(27)18-5-7-19(24)8-6-18)16-17-3-2-4-21(15-17)31-32(28,29)22-11-9-20(25)10-12-22/h2-12,15H,13-14,16H2,1H3