[5-[[butan-2-yl(2-ethylhexanoyl)amino]methyl]-2-methoxy-phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [5-[[butan-2-yl(2-ethylhexanoyl)amino]methyl]-2-methoxy-phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [5-[[2-ethylhexanoyl(sec-butyl)amino]methyl]-2-methoxy-phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [5-[[butan-2-yl-(2-ethyl-1-oxohexyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[butan-2-yl(2-ethylhexanoyl)amino]methyl]-2-methoxyphenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [5-[[2-ethylhexanoyl(sec-butyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C26H36FNO5S MolecularWeight: 493.631143

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H36FNO5S/c1-6-9-10-21(8-3)26(29)28(19(4)7-2)18-20-11-16-24(32-5)25(17-20)33-34(30,31)23-14-12-22(27)13-15-23/h11-17,19,21H,6-10,18H2,1-5H3