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

Systemtic Name: [4-chloranyl-2-[[cyclobutylcarbonyl(2-methylpropyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-chloro-2-[[cyclobutanecarbonyl(isobutyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-chloro-2-[[[cyclobutyl(oxo)methyl]-(2-methylpropyl)amino]methyl]phenyl] ester IUPAC Name: [4-chloro-2-[[cyclobutanecarbonyl(2-methylpropyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-chloro-2-[[cyclobutanecarbonyl(isobutyl)amino]methyl]phenyl] ester Formula: C22H25ClFNO4S MolecularWeight: 453.954603

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25ClFNO4S/c1-15(2)13-25(22(26)16-4-3-5-16)14-17-12-18(23)6-11-21(17)29-30(27,28)20-9-7-19(24)8-10-20/h6-12,15-16H,3-5,13-14H2,1-2H3