[3-[[cyclobutylcarbonyl-[(4-fluorophenyl)methyl]amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [3-[[cyclobutylcarbonyl-[(4-fluorophenyl)methyl]amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[cyclobutanecarbonyl-[(4-fluorophenyl)methyl]amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[[cyclobutyl(oxo)methyl]-[(4-fluorophenyl)methyl]amino]methyl]phenyl] ester IUPAC Name: [3-[[cyclobutanecarbonyl-[(4-fluorophenyl)methyl]amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[cyclobutanecarbonyl-(4-fluorobenzyl)amino]methyl]phenyl] ester Formula: C21H24FNO4S MolecularWeight: 405.482963

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=CC=CC(=C1)CN(CC2=CC=C(C=C2)F)C(=O)C3CCC3

Isomeric SMILES

CCS(=O)(=O)OC1=CC=CC(=C1)CN(CC2=CC=C(C=C2)F)C(=O)C3CCC3

InChI

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