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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC(C)N(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/c1-3-19(2)29(35(30,31)25-11-5-8-21-9-6-16-28-26(21)25)18-20-7-4-10-23(17-20)34-36(32,33)24-14-12-22(27)13-15-24/h4-17,19H,3,18H2,1-2H3