[2-[[cyclobutylcarbonyl-[(4-fluorophenyl)methyl]amino]methyl]phenyl] methanesulfonate

Systemtic Name: [2-[[cyclobutylcarbonyl-[(4-fluorophenyl)methyl]amino]methyl]phenyl] methanesulfonate Openeye Name: [2-[[cyclobutanecarbonyl-[(4-fluorophenyl)methyl]amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [2-[[[cyclobutyl(oxo)methyl]-[(4-fluorophenyl)methyl]amino]methyl]phenyl] ester IUPAC Name: [2-[[cyclobutanecarbonyl-[(4-fluorophenyl)methyl]amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [2-[[cyclobutanecarbonyl-(4-fluorobenzyl)amino]methyl]phenyl] ester Formula: C20H22FNO4S MolecularWeight: 391.456383

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1=CC=CC=C1CN(CC2=CC=C(C=C2)F)C(=O)C3CCC3

Isomeric SMILES

CS(=O)(=O)OC1=CC=CC=C1CN(CC2=CC=C(C=C2)F)C(=O)C3CCC3

InChI

InChI=1S/C20H22FNO4S/c1-27(24,25)26-19-8-3-2-5-17(19)14-22(20(23)16-6-4-7-16)13-15-9-11-18(21)12-10-15/h2-3,5,8-12,16H,4,6-7,13-14H2,1H3