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

Systemtic Name: [3-[[cyclopentylcarbonyl(2-methylpropyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[cyclopentanecarbonyl(isobutyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[[cyclopentyl(oxo)methyl]-(2-methylpropyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[cyclopentanecarbonyl(2-methylpropyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[cyclopentanecarbonyl(isobutyl)amino]methyl]phenyl] ester Formula: C23H28FNO4S MolecularWeight: 433.536123

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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)C3CCCC3

Isomeric SMILES

CC(C)CN(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)C3CCCC3

InChI

InChI=1S/C23H28FNO4S/c1-17(2)15-25(23(26)19-7-3-4-8-19)16-18-6-5-9-21(14-18)29-30(27,28)22-12-10-20(24)11-13-22/h5-6,9-14,17,19H,3-4,7-8,15-16H2,1-2H3