[4-[[2-methylpropyl(2-phenylethanoyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [4-[[2-methylpropyl(2-phenylethanoyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-[[isobutyl-(2-phenylacetyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-[[2-methylpropyl-(1-oxo-2-phenylethyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[2-methylpropyl-(2-phenylacetyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-[[isobutyl-(2-phenylacetyl)amino]methyl]phenyl] ester Formula: C25H26FNO4S MolecularWeight: 455.541643

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26FNO4S/c1-19(2)17-27(25(28)16-20-6-4-3-5-7-20)18-21-8-12-23(13-9-21)31-32(29,30)24-14-10-22(26)11-15-24/h3-15,19H,16-18H2,1-2H3