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

Systemtic Name: [4-[[3-cyclopentylpropanoyl(2-methylpropyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-[[3-cyclopentylpropanoyl(isobutyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-[[(3-cyclopentyl-1-oxopropyl)-(2-methylpropyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[3-cyclopentylpropanoyl(2-methylpropyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-[[3-cyclopentylpropanoyl(isobutyl)amino]methyl]phenyl] ester Formula: C25H32FNO4S MolecularWeight: 461.589283

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)CCC3CCCC3

Isomeric SMILES

CC(C)CN(CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)CCC3CCCC3

InChI

InChI=1S/C25H32FNO4S/c1-19(2)17-27(25(28)16-9-20-5-3-4-6-20)18-21-7-12-23(13-8-21)31-32(29,30)24-14-10-22(26)11-15-24/h7-8,10-15,19-20H,3-6,9,16-18H2,1-2H3