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

Systemtic Name: [4-[[2-methoxyethyl(2-phenylsulfanylethanoyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-[[2-methoxyethyl-(2-phenylsulfanylacetyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-[[2-methoxyethyl-[1-oxo-2-(phenylthio)ethyl]amino]methyl]phenyl] ester IUPAC Name: [4-[[2-methoxyethyl-(2-phenylsulfanylacetyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-[[2-methoxyethyl-[2-(phenylthio)acetyl]amino]methyl]phenyl] ester Formula: C24H24FNO5S2 MolecularWeight: 489.579463

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Descriptors Computed from Structure

Canonical SMILES:

COCCN(CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)CSC3=CC=CC=C3

Isomeric SMILES

COCCN(CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)CSC3=CC=CC=C3

InChI

InChI=1S/C24H24FNO5S2/c1-30-16-15-26(24(27)18-32-22-5-3-2-4-6-22)17-19-7-11-21(12-8-19)31-33(28,29)23-13-9-20(25)10-14-23/h2-14H,15-18H2,1H3