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

Systemtic Name: [4-[[2,2-dimethylpropanoyl(2-methoxyethyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-[[2,2-dimethylpropanoyl(2-methoxyethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-[[(2,2-dimethyl-1-oxopropyl)-(2-methoxyethyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[2,2-dimethylpropanoyl(2-methoxyethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-[[2-methoxyethyl(pivaloyl)amino]methyl]phenyl] ester Formula: C21H26FNO5S MolecularWeight: 423.498243

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)N(CCOC)CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CC(C)(C)C(=O)N(CCOC)CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C21H26FNO5S/c1-21(2,3)20(24)23(13-14-27-4)15-16-5-9-18(10-6-16)28-29(25,26)19-11-7-17(22)8-12-19/h5-12H,13-15H2,1-4H3