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

Systemtic Name: [2-[[cyclobutylcarbonyl(propan-2-yl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [2-[[cyclobutanecarbonyl(isopropyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [2-[[[cyclobutyl(oxo)methyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [2-[[cyclobutanecarbonyl(propan-2-yl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [2-[[cyclobutanecarbonyl(isopropyl)amino]methyl]phenyl] ester Formula: C21H24FNO4S MolecularWeight: 405.482963

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=CC=CC=C1OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)C3CCC3

Isomeric SMILES

CC(C)N(CC1=CC=CC=C1OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)C3CCC3

InChI

InChI=1S/C21H24FNO4S/c1-15(2)23(21(24)16-7-5-8-16)14-17-6-3-4-9-20(17)27-28(25,26)19-12-10-18(22)11-13-19/h3-4,6,9-13,15-16H,5,7-8,14H2,1-2H3