[4-[[2-ethylhexanoyl(furan-2-ylmethyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [4-[[2-ethylhexanoyl(furan-2-ylmethyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-[[2-ethylhexanoyl(2-furylmethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-[[(2-ethyl-1-oxohexyl)-(2-furanylmethyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[2-ethylhexanoyl(furan-2-ylmethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-[[2-ethylhexanoyl(2-furfuryl)amino]methyl]phenyl] ester Formula: C26H30FNO5S MolecularWeight: 487.583503

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)N(CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)F)CC3=CC=CO3

Isomeric SMILES

CCCCC(CC)C(=O)N(CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)F)CC3=CC=CO3

InChI

InChI=1S/C26H30FNO5S/c1-3-5-7-21(4-2)26(29)28(19-24-8-6-17-32-24)18-20-9-13-23(14-10-20)33-34(30,31)25-15-11-22(27)12-16-25/h6,8-17,21H,3-5,7,18-19H2,1-2H3