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

Systemtic Name: [3-[[butan-2-yl-(4-methoxyphenyl)carbonyl-amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[(4-methoxybenzoyl)-sec-butyl-amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[butan-2-yl-[(4-methoxyphenyl)-oxomethyl]amino]methyl]phenyl] ester IUPAC Name: [3-[[butan-2-yl-(4-methoxybenzoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[p-anisoyl(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(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

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

InChI

InChI=1S/C25H26FNO5S/c1-4-18(2)27(25(28)20-8-12-22(31-3)13-9-20)17-19-6-5-7-23(16-19)32-33(29,30)24-14-10-21(26)11-15-24/h5-16,18H,4,17H2,1-3H3