[3-[[2-methylpropyl(quinolin-8-ylsulfonyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [3-[[2-methylpropyl(quinolin-8-ylsulfonyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[isobutyl(8-quinolylsulfonyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[2-methylpropyl(8-quinolinylsulfonyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[2-methylpropyl(quinolin-8-ylsulfonyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[isobutyl(8-quinolylsulfonyl)amino]methyl]phenyl] ester Formula: C26H25FN2O5S2 MolecularWeight: 528.615503

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC4=C3N=CC=C4

Isomeric SMILES

CC(C)CN(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C26H25FN2O5S2/c1-19(2)17-29(35(30,31)25-10-4-7-21-8-5-15-28-26(21)25)18-20-6-3-9-23(16-20)34-36(32,33)24-13-11-22(27)12-14-24/h3-16,19H,17-18H2,1-2H3