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

Systemtic Name: [3-[[(3-bromophenyl)carbonyl-(2-methoxyethyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[(3-bromobenzoyl)-(2-methoxyethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[[(3-bromophenyl)-oxomethyl]-(2-methoxyethyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[(3-bromobenzoyl)-(2-methoxyethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[(3-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(=CC=C3)Br

Isomeric SMILES

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

InChI

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