[4-[[butan-2-yl(2-phenoxyethanoyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [4-[[butan-2-yl(2-phenoxyethanoyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-[[(2-phenoxyacetyl)-sec-butyl-amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-[[butan-2-yl-(1-oxo-2-phenoxyethyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[butan-2-yl-(2-phenoxyacetyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-[[(2-phenoxyacetyl)-sec-butyl-amino]methyl]phenyl] ester Formula: C25H26FNO5S MolecularWeight: 471.541043

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)COC3=CC=CC=C3

Isomeric SMILES

CCC(C)N(CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)COC3=CC=CC=C3

InChI

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