[4-[[3-phenylpropanoyl(propan-2-yl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [4-[[3-phenylpropanoyl(propan-2-yl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-[[isopropyl(3-phenylpropanoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-[[(1-oxo-3-phenylpropyl)-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [4-[[3-phenylpropanoyl(propan-2-yl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-[[hydrocinnamoyl(isopropyl)amino]methyl]phenyl] ester Formula: C25H26FNO4S MolecularWeight: 455.541643

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)CCC3=CC=CC=C3

Isomeric SMILES

CC(C)N(CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)CCC3=CC=CC=C3

InChI

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