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

Systemtic Name: [3-[[2-methoxyethanoyl(2-methoxyethyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[(2-methoxyacetyl)-(2-methoxyethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[2-methoxyethyl-(2-methoxy-1-oxoethyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[(2-methoxyacetyl)-(2-methoxyethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[(2-methoxyacetyl)-(2-methoxyethyl)amino]methyl]phenyl] ester Formula: C19H22FNO6S MolecularWeight: 411.444483

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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)COC

Isomeric SMILES

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

InChI

InChI=1S/C19H22FNO6S/c1-25-11-10-21(19(22)14-26-2)13-15-4-3-5-17(12-15)27-28(23,24)18-8-6-16(20)7-9-18/h3-9,12H,10-11,13-14H2,1-2H3