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

Systemtic Name: [3-[[2-methoxyethyl(naphthalen-2-ylsulfonyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[2-methoxyethyl(2-naphthylsulfonyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[2-methoxyethyl(2-naphthalenylsulfonyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[2-methoxyethyl(naphthalen-2-ylsulfonyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[2-methoxyethyl(2-naphthylsulfonyl)amino]methyl]phenyl] ester Formula: C26H24FNO6S2 MolecularWeight: 529.600263

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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=CC4=CC=CC=C4C=C3

Isomeric SMILES

COCCN(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)F)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C26H24FNO6S2/c1-33-16-15-28(35(29,30)26-12-9-21-6-2-3-7-22(21)18-26)19-20-5-4-8-24(17-20)34-36(31,32)25-13-10-23(27)11-14-25/h2-14,17-18H,15-16,19H2,1H3