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

Systemtic Name: [2-[[cyclobutylcarbonyl-[(4-fluorophenyl)methyl]amino]methyl]phenyl] ethanesulfonate Openeye Name: [2-[[cyclobutanecarbonyl-[(4-fluorophenyl)methyl]amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [2-[[[cyclobutyl(oxo)methyl]-[(4-fluorophenyl)methyl]amino]methyl]phenyl] ester IUPAC Name: [2-[[cyclobutanecarbonyl-[(4-fluorophenyl)methyl]amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [2-[[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=C1CN(CC2=CC=C(C=C2)F)C(=O)C3CCC3

Isomeric SMILES

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

InChI

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