[4-[[(3-chloranyl-2,2-dimethyl-propanoyl)-(2-methylpropyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [4-[[(3-chloranyl-2,2-dimethyl-propanoyl)-(2-methylpropyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-[[(3-chloro-2,2-dimethyl-propanoyl)-isobutyl-amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-[[(3-chloro-2,2-dimethyl-1-oxopropyl)-(2-methylpropyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[(3-chloro-2,2-dimethylpropanoyl)-(2-methylpropyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-[[(3-chloro-2,2-dimethyl-propanoyl)-isobutyl-amino]methyl]phenyl] ester Formula: C22H27ClFNO4S MolecularWeight: 455.970483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27ClFNO4S/c1-16(2)13-25(21(26)22(3,4)15-23)14-17-5-9-19(10-6-17)29-30(27,28)20-11-7-18(24)8-12-20/h5-12,16H,13-15H2,1-4H3