[3-[[3,3-dimethylbutanoyl(2-methylpropyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [3-[[3,3-dimethylbutanoyl(2-methylpropyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[3,3-dimethylbutanoyl(isobutyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[(3,3-dimethyl-1-oxobutyl)-(2-methylpropyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[3,3-dimethylbutanoyl(2-methylpropyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[3,3-dimethylbutanoyl(isobutyl)amino]methyl]phenyl] ester Formula: C23H30FNO4S MolecularWeight: 435.552003

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30FNO4S/c1-17(2)15-25(22(26)14-23(3,4)5)16-18-7-6-8-20(13-18)29-30(27,28)21-11-9-19(24)10-12-21/h6-13,17H,14-16H2,1-5H3