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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32FNO4S/c1-3-19(2)27(25(28)16-11-20-7-4-5-8-20)18-21-9-6-10-23(17-21)31-32(29,30)24-14-12-22(26)13-15-24/h6,9-10,12-15,17,19-20H,3-5,7-8,11,16,18H2,1-2H3