[4-[[(3-methoxyphenyl)carbonyl-(2-methylpropyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [4-[[(3-methoxyphenyl)carbonyl-(2-methylpropyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-[[isobutyl-(3-methoxybenzoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-[[[(3-methoxyphenyl)-oxomethyl]-(2-methylpropyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[(3-methoxybenzoyl)-(2-methylpropyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-[[isobutyl(m-anisoyl)amino]methyl]phenyl] ester Formula: C25H26FNO5S MolecularWeight: 471.541043

Click to see the large picture

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)C3=CC(=CC=C3)OC

Isomeric SMILES

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

InChI

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