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

Systemtic Name: [3-[[(3-bromophenyl)carbamoyl-(2-methoxyethyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[(3-bromophenyl)carbamoyl-(2-methoxyethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[[(3-bromoanilino)-oxomethyl]-(2-methoxyethyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[(3-bromophenyl)carbamoyl-(2-methoxyethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[(3-bromophenyl)carbamoyl-(2-methoxyethyl)amino]methyl]phenyl] ester Formula: C23H22BrFN2O5S MolecularWeight: 537.398583

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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)NC3=CC(=CC=C3)Br

Isomeric SMILES

COCCN(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)NC3=CC(=CC=C3)Br

InChI

InChI=1S/C23H22BrFN2O5S/c1-31-13-12-27(23(28)26-20-6-3-5-18(24)15-20)16-17-4-2-7-21(14-17)32-33(29,30)22-10-8-19(25)9-11-22/h2-11,14-15H,12-13,16H2,1H3,(H,26,28)