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

Systemtic Name: [4-[[2,2-dimethylpropanoyl(propan-2-yl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-[[2,2-dimethylpropanoyl(isopropyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-[[(2,2-dimethyl-1-oxopropyl)-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [4-[[2,2-dimethylpropanoyl(propan-2-yl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-[[isopropyl(pivaloyl)amino]methyl]phenyl] ester Formula: C21H26FNO4S MolecularWeight: 407.498843

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26FNO4S/c1-15(2)23(20(24)21(3,4)5)14-16-6-10-18(11-7-16)27-28(25,26)19-12-8-17(22)9-13-19/h6-13,15H,14H2,1-5H3