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

Systemtic Name: [4-chloranyl-2-[[cyclobutylcarbonyl(2-methoxyethyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-chloro-2-[[cyclobutanecarbonyl(2-methoxyethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-chloro-2-[[[cyclobutyl(oxo)methyl]-(2-methoxyethyl)amino]methyl]phenyl] ester IUPAC Name: [4-chloro-2-[[cyclobutanecarbonyl(2-methoxyethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-chloro-2-[[cyclobutanecarbonyl(2-methoxyethyl)amino]methyl]phenyl] ester Formula: C21H23ClFNO5S MolecularWeight: 455.927423

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClFNO5S/c1-28-12-11-24(21(25)15-3-2-4-15)14-16-13-17(22)5-10-20(16)29-30(26,27)19-8-6-18(23)7-9-19/h5-10,13,15H,2-4,11-12,14H2,1H3