[3-[[butan-2-yl(2,2-dimethylpropanoyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [3-[[butan-2-yl(2,2-dimethylpropanoyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[2,2-dimethylpropanoyl(sec-butyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[butan-2-yl-(2,2-dimethyl-1-oxopropyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[butan-2-yl(2,2-dimethylpropanoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[pivaloyl(sec-butyl)amino]methyl]phenyl] ester Formula: C22H28FNO4S MolecularWeight: 421.525423

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)C(C)(C)C

Isomeric SMILES

CCC(C)N(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)C(C)(C)C

InChI

InChI=1S/C22H28FNO4S/c1-6-16(2)24(21(25)22(3,4)5)15-17-8-7-9-19(14-17)28-29(26,27)20-12-10-18(23)11-13-20/h7-14,16H,6,15H2,1-5H3