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

Systemtic Name: [3-[[3-phenylpropanoyl(propan-2-yl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[isopropyl(3-phenylpropanoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[(1-oxo-3-phenylpropyl)-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [3-[[3-phenylpropanoyl(propan-2-yl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[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(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)CCC3=CC=CC=C3

Isomeric SMILES

CC(C)N(CC1=CC(=CC=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)16-11-20-7-4-3-5-8-20)18-21-9-6-10-23(17-21)31-32(29,30)24-14-12-22(26)13-15-24/h3-10,12-15,17,19H,11,16,18H2,1-2H3