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

Systemtic Name: [3-[[cyclopentylcarbonyl(propan-2-yl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[cyclopentanecarbonyl(isopropyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[[cyclopentyl(oxo)methyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [3-[[cyclopentanecarbonyl(propan-2-yl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[cyclopentanecarbonyl(isopropyl)amino]methyl]phenyl] ester Formula: C22H26FNO4S MolecularWeight: 419.509543

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26FNO4S/c1-16(2)24(22(25)18-7-3-4-8-18)15-17-6-5-9-20(14-17)28-29(26,27)21-12-10-19(23)11-13-21/h5-6,9-14,16,18H,3-4,7-8,15H2,1-2H3