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

Systemtic Name: [2-[[butan-2-yl(3-methylbutanoyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [2-[[3-methylbutanoyl(sec-butyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [2-[[butan-2-yl-(3-methyl-1-oxobutyl)amino]methyl]phenyl] ester IUPAC Name: [2-[[butan-2-yl(3-methylbutanoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [2-[[isovaleryl(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=C1OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)CC(C)C

Isomeric SMILES

CCC(C)N(CC1=CC=CC=C1OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)CC(C)C

InChI

InChI=1S/C22H28FNO4S/c1-5-17(4)24(22(25)14-16(2)3)15-18-8-6-7-9-21(18)28-29(26,27)20-12-10-19(23)11-13-20/h6-13,16-17H,5,14-15H2,1-4H3