[3-[[hexanoyl(2-methylpropyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [3-[[hexanoyl(2-methylpropyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[hexanoyl(isobutyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[2-methylpropyl(1-oxohexyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[hexanoyl(2-methylpropyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[caproyl(isobutyl)amino]methyl]phenyl] ester Formula: C23H30FNO4S MolecularWeight: 435.552003

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30FNO4S/c1-4-5-6-10-23(26)25(16-18(2)3)17-19-8-7-9-21(15-19)29-30(27,28)22-13-11-20(24)12-14-22/h7-9,11-15,18H,4-6,10,16-17H2,1-3H3