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

Systemtic Name: [4-[[butan-2-yl(hexanoyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-[[hexanoyl(sec-butyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-[[butan-2-yl(1-oxohexyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[butan-2-yl(hexanoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-[[caproyl(sec-butyl)amino]methyl]phenyl] ester Formula: C23H30FNO4S MolecularWeight: 435.552003

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30FNO4S/c1-4-6-7-8-23(26)25(18(3)5-2)17-19-9-13-21(14-10-19)29-30(27,28)22-15-11-20(24)12-16-22/h9-16,18H,4-8,17H2,1-3H3