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

Systemtic Name: [2-[[2-methoxyethanoyl(2-methylpropyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [2-[[isobutyl-(2-methoxyacetyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [2-[[(2-methoxy-1-oxoethyl)-(2-methylpropyl)amino]methyl]phenyl] ester IUPAC Name: [2-[[(2-methoxyacetyl)-(2-methylpropyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [2-[[isobutyl-(2-methoxyacetyl)amino]methyl]phenyl] ester Formula: C20H24FNO5S MolecularWeight: 409.471663

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC1=CC=CC=C1OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)COC

Isomeric SMILES

CC(C)CN(CC1=CC=CC=C1OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)COC

InChI

InChI=1S/C20H24FNO5S/c1-15(2)12-22(20(23)14-26-3)13-16-6-4-5-7-19(16)27-28(24,25)18-10-8-17(21)9-11-18/h4-11,15H,12-14H2,1-3H3