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

Systemtic Name: [3-[[propan-2-yl(quinolin-8-ylsulfonyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[isopropyl(8-quinolylsulfonyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[propan-2-yl(8-quinolinylsulfonyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[propan-2-yl(quinolin-8-ylsulfonyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[isopropyl(8-quinolylsulfonyl)amino]methyl]phenyl] ester Formula: C25H23FN2O5S2 MolecularWeight: 514.588923

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Descriptors Computed from Structure

Canonical SMILES:

CC(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

CC(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/C25H23FN2O5S2/c1-18(2)28(34(29,30)24-10-4-7-20-8-5-15-27-25(20)24)17-19-6-3-9-22(16-19)33-35(31,32)23-13-11-21(26)12-14-23/h3-16,18H,17H2,1-2H3