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

Systemtic Name: [3-[[cyclobutylcarbonyl(2-methoxyethyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[cyclobutanecarbonyl(2-methoxyethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[[cyclobutyl(oxo)methyl]-(2-methoxyethyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[cyclobutanecarbonyl(2-methoxyethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[cyclobutanecarbonyl(2-methoxyethyl)amino]methyl]phenyl] ester Formula: C21H24FNO5S MolecularWeight: 421.482363

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24FNO5S/c1-27-13-12-23(21(24)17-5-3-6-17)15-16-4-2-7-19(14-16)28-29(25,26)20-10-8-18(22)9-11-20/h2,4,7-11,14,17H,3,5-6,12-13,15H2,1H3