[5-[[(4-bromophenyl)carbonyl-(2-methylpropyl)amino]methyl]-2-methoxy-phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [5-[[(4-bromophenyl)carbonyl-(2-methylpropyl)amino]methyl]-2-methoxy-phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [5-[[(4-bromobenzoyl)-isobutyl-amino]methyl]-2-methoxy-phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [5-[[[(4-bromophenyl)-oxomethyl]-(2-methylpropyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[(4-bromobenzoyl)-(2-methylpropyl)amino]methyl]-2-methoxyphenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [5-[[(4-bromobenzoyl)-isobutyl-amino]methyl]-2-methoxy-phenyl] ester Formula: C25H25BrFNO5S MolecularWeight: 550.437103

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25BrFNO5S/c1-17(2)15-28(25(29)19-5-7-20(26)8-6-19)16-18-4-13-23(32-3)24(14-18)33-34(30,31)22-11-9-21(27)10-12-22/h4-14,17H,15-16H2,1-3H3