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

Systemtic Name: [4-[[2-methoxyethyl(quinolin-8-ylsulfonyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-[[2-methoxyethyl(8-quinolylsulfonyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-[[2-methoxyethyl(8-quinolinylsulfonyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[2-methoxyethyl(quinolin-8-ylsulfonyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-[[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=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC4=C3N=CC=C4

Isomeric SMILES

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