[2-methoxy-5-[[2-methoxyethyl(naphthalen-1-ylcarbonyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [2-methoxy-5-[[2-methoxyethyl(naphthalen-1-ylcarbonyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [2-methoxy-5-[[2-methoxyethyl(naphthalene-1-carbonyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [2-methoxy-5-[[2-methoxyethyl-[1-naphthalenyl(oxo)methyl]amino]methyl]phenyl] ester IUPAC Name: [2-methoxy-5-[[2-methoxyethyl(naphthalene-1-carbonyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [2-methoxy-5-[[2-methoxyethyl(1-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=CC=CC4=CC=CC=C43

Isomeric SMILES

COCCN(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)C3=CC=CC4=CC=CC=C43

InChI

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