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

Systemtic Name: [3-[[cyclobutylcarbonyl(propan-2-yl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[cyclobutanecarbonyl(isopropyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[[cyclobutyl(oxo)methyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [3-[[cyclobutanecarbonyl(propan-2-yl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[cyclobutanecarbonyl(isopropyl)amino]methyl]phenyl] ester Formula: C21H24FNO4S MolecularWeight: 405.482963

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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