[4-[[(4-fluorophenyl)methyl-(2-methylpropanoyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate

Systemtic Name: [4-[[(4-fluorophenyl)methyl-(2-methylpropanoyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate Openeye Name: [4-[[(4-fluorophenyl)methyl-(2-methylpropanoyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic acid [4-[[(4-fluorophenyl)methyl-(2-methyl-1-oxopropyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[(4-fluorophenyl)methyl-(2-methylpropanoyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid [4-[[(4-fluorobenzyl)-isobutyryl-amino]methyl]phenyl] ester Formula: C25H26FNO5S MolecularWeight: 471.541043

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N(CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)OC)CC3=CC=C(C=C3)F

Isomeric SMILES

CC(C)C(=O)N(CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)OC)CC3=CC=C(C=C3)F

InChI

InChI=1S/C25H26FNO5S/c1-18(2)25(28)27(16-19-4-8-21(26)9-5-19)17-20-6-10-23(11-7-20)32-33(29,30)24-14-12-22(31-3)13-15-24/h4-15,18H,16-17H2,1-3H3