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

Systemtic Name: [5-[[(4-bromophenyl)sulfonyl-(2-methoxyethyl)amino]methyl]-2-methoxy-phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [5-[[(4-bromophenyl)sulfonyl-(2-methoxyethyl)amino]methyl]-2-methoxy-phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [5-[[(4-bromophenyl)sulfonyl-(2-methoxyethyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[(4-bromophenyl)sulfonyl-(2-methoxyethyl)amino]methyl]-2-methoxyphenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [5-[[brosyl(2-methoxyethyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C23H23BrFNO7S2 MolecularWeight: 588.463623

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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)S(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

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

InChI

InChI=1S/C23H23BrFNO7S2/c1-31-14-13-26(34(27,28)20-8-4-18(24)5-9-20)16-17-3-12-22(32-2)23(15-17)33-35(29,30)21-10-6-19(25)7-11-21/h3-12,15H,13-14,16H2,1-2H3