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

Systemtic Name: [3-[[3-cyclopentylpropanoyl(2-methylpropyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[3-cyclopentylpropanoyl(isobutyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[(3-cyclopentyl-1-oxopropyl)-(2-methylpropyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[3-cyclopentylpropanoyl(2-methylpropyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[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(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)CCC3CCCC3

Isomeric SMILES

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

InChI

InChI=1S/C25H32FNO4S/c1-19(2)17-27(25(28)15-10-20-6-3-4-7-20)18-21-8-5-9-23(16-21)31-32(29,30)24-13-11-22(26)12-14-24/h5,8-9,11-14,16,19-20H,3-4,6-7,10,15,17-18H2,1-2H3