[2-methoxy-5-[[propan-2-yl(quinolin-8-ylsulfonyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [2-methoxy-5-[[propan-2-yl(quinolin-8-ylsulfonyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [5-[[isopropyl(8-quinolylsulfonyl)amino]methyl]-2-methoxy-phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [2-methoxy-5-[[propan-2-yl(8-quinolinylsulfonyl)amino]methyl]phenyl] ester IUPAC Name: [2-methoxy-5-[[propan-2-yl(quinolin-8-ylsulfonyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [5-[[isopropyl(8-quinolylsulfonyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C26H25FN2O6S2 MolecularWeight: 544.614903

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C26H25FN2O6S2/c1-18(2)29(36(30,31)25-8-4-6-20-7-5-15-28-26(20)25)17-19-9-14-23(34-3)24(16-19)35-37(32,33)22-12-10-21(27)11-13-22/h4-16,18H,17H2,1-3H3