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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC1=CC=C(C=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=C(C=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)25-7-3-5-21-6-4-16-28-26(21)25)18-20-8-12-23(13-9-20)34-36(32,33)24-14-10-22(27)11-15-24/h3-16,19H,17-18H2,1-2H3