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

Systemtic Name: [4-[[2-phenylmethoxyethanoyl(propan-2-yl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-[[(2-benzyloxyacetyl)-isopropyl-amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-[[(1-oxo-2-phenylmethoxyethyl)-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [4-[[(2-phenylmethoxyacetyl)-propan-2-ylamino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-[[(2-benzoxyacetyl)-isopropyl-amino]methyl]phenyl] ester Formula: C25H26FNO5S MolecularWeight: 471.541043

Click to see the large picture

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)COCC3=CC=CC=C3

Isomeric SMILES

CC(C)N(CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)COCC3=CC=CC=C3

InChI

InChI=1S/C25H26FNO5S/c1-19(2)27(25(28)18-31-17-21-6-4-3-5-7-21)16-20-8-12-23(13-9-20)32-33(29,30)24-14-10-22(26)11-15-24/h3-15,19H,16-18H2,1-2H3