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

Systemtic Name: [3-[[2-methoxyethyl(2-phenylethanoyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[2-methoxyethyl-(2-phenylacetyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[2-methoxyethyl-(1-oxo-2-phenylethyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[2-methoxyethyl-(2-phenylacetyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[2-methoxyethyl-(2-phenylacetyl)amino]methyl]phenyl] ester Formula: C24H24FNO5S MolecularWeight: 457.514463

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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)CC3=CC=CC=C3

Isomeric SMILES

COCCN(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)CC3=CC=CC=C3

InChI

InChI=1S/C24H24FNO5S/c1-30-15-14-26(24(27)17-19-6-3-2-4-7-19)18-20-8-5-9-22(16-20)31-32(28,29)23-12-10-21(25)11-13-23/h2-13,16H,14-15,17-18H2,1H3