[5-[[(2-bromophenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-2-methoxy-phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [5-[[(2-bromophenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-2-methoxy-phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [5-[[(2-bromophenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-2-methoxy-phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [5-[[[(2-bromoanilino)-oxomethyl]-(2-methoxyethyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[(2-bromophenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-2-methoxyphenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [5-[[(2-bromophenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C24H24BrFN2O6S MolecularWeight: 567.424563

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Descriptors Computed from Structure

Canonical SMILES:

COCCN(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)NC3=CC=CC=C3Br

Isomeric SMILES

COCCN(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)NC3=CC=CC=C3Br

InChI

InChI=1S/C24H24BrFN2O6S/c1-32-14-13-28(24(29)27-21-6-4-3-5-20(21)25)16-17-7-12-22(33-2)23(15-17)34-35(30,31)19-10-8-18(26)9-11-19/h3-12,15H,13-14,16H2,1-2H3,(H,27,29)