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

Systemtic Name: [2-[[2-methoxyethyl(2-methylpropanoyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [2-[[2-methoxyethyl(2-methylpropanoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [2-[[2-methoxyethyl-(2-methyl-1-oxopropyl)amino]methyl]phenyl] ester IUPAC Name: [2-[[2-methoxyethyl(2-methylpropanoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [2-[[isobutyryl(2-methoxyethyl)amino]methyl]phenyl] ester Formula: C20H24FNO5S MolecularWeight: 409.471663

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N(CCOC)CC1=CC=CC=C1OS(=O)(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CC(C)C(=O)N(CCOC)CC1=CC=CC=C1OS(=O)(=O)C2=CC=C(C=C2)F

InChI

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