[3-[[2-ethylhexanoyl(propan-2-yl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [3-[[2-ethylhexanoyl(propan-2-yl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[2-ethylhexanoyl(isopropyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[(2-ethyl-1-oxohexyl)-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [3-[[2-ethylhexanoyl(propan-2-yl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[2-ethylhexanoyl(isopropyl)amino]methyl]phenyl] ester Formula: C24H32FNO4S MolecularWeight: 449.578583

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H32FNO4S/c1-5-7-10-20(6-2)24(27)26(18(3)4)17-19-9-8-11-22(16-19)30-31(28,29)23-14-12-21(25)13-15-23/h8-9,11-16,18,20H,5-7,10,17H2,1-4H3