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

Systemtic Name: [3-[[2-methoxyethyl(quinolin-8-ylsulfonyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[2-methoxyethyl(8-quinolylsulfonyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[2-methoxyethyl(8-quinolinylsulfonyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[2-methoxyethyl(quinolin-8-ylsulfonyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[2-methoxyethyl(8-quinolylsulfonyl)amino]methyl]phenyl] ester Formula: C25H23FN2O6S2 MolecularWeight: 530.588323

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COCCN(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/C25H23FN2O6S2/c1-33-16-15-28(35(29,30)24-9-3-6-20-7-4-14-27-25(20)24)18-19-5-2-8-22(17-19)34-36(31,32)23-12-10-21(26)11-13-23/h2-14,17H,15-16,18H2,1H3