[2-methoxy-5-[[2-methoxyethyl(naphthalen-2-ylcarbonyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [2-methoxy-5-[[2-methoxyethyl(naphthalen-2-ylcarbonyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [2-methoxy-5-[[2-methoxyethyl(naphthalene-2-carbonyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [2-methoxy-5-[[2-methoxyethyl-[2-naphthalenyl(oxo)methyl]amino]methyl]phenyl] ester IUPAC Name: [2-methoxy-5-[[2-methoxyethyl(naphthalene-2-carbonyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [2-methoxy-5-[[2-methoxyethyl(2-naphthoyl)amino]methyl]phenyl] ester Formula: C28H26FNO6S MolecularWeight: 523.572543

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H26FNO6S/c1-34-16-15-30(28(31)23-9-8-21-5-3-4-6-22(21)18-23)19-20-7-14-26(35-2)27(17-20)36-37(32,33)25-12-10-24(29)11-13-25/h3-14,17-18H,15-16,19H2,1-2H3