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

Systemtic Name: [3-[[2-methoxyethyl(naphthalen-2-ylcarbonyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[2-methoxyethyl(naphthalene-2-carbonyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[2-methoxyethyl-[2-naphthalenyl(oxo)methyl]amino]methyl]phenyl] ester IUPAC Name: [3-[[2-methoxyethyl(naphthalene-2-carbonyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[2-methoxyethyl(2-naphthoyl)amino]methyl]phenyl] ester Formula: C27H24FNO5S MolecularWeight: 493.546563

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H24FNO5S/c1-33-16-15-29(27(30)23-10-9-21-6-2-3-7-22(21)18-23)19-20-5-4-8-25(17-20)34-35(31,32)26-13-11-24(28)12-14-26/h2-14,17-18H,15-16,19H2,1H3