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

Systemtic Name: [3-[[cyclobutylcarbonyl(2-methylpropyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[cyclobutanecarbonyl(isobutyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[[cyclobutyl(oxo)methyl]-(2-methylpropyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[cyclobutanecarbonyl(2-methylpropyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[cyclobutanecarbonyl(isobutyl)amino]methyl]phenyl] ester Formula: C22H26FNO4S MolecularWeight: 419.509543

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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)C3CCC3

Isomeric SMILES

CC(C)CN(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)C3CCC3

InChI

InChI=1S/C22H26FNO4S/c1-16(2)14-24(22(25)18-6-4-7-18)15-17-5-3-8-20(13-17)28-29(26,27)21-11-9-19(23)10-12-21/h3,5,8-13,16,18H,4,6-7,14-15H2,1-2H3