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

Systemtic Name: [4-[[cyclopentylcarbonyl(propan-2-yl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-[[cyclopentanecarbonyl(isopropyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-[[[cyclopentyl(oxo)methyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [4-[[cyclopentanecarbonyl(propan-2-yl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-[[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=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)C3CCCC3

Isomeric SMILES

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

InChI

InChI=1S/C22H26FNO4S/c1-16(2)24(22(25)18-5-3-4-6-18)15-17-7-11-20(12-8-17)28-29(26,27)21-13-9-19(23)10-14-21/h7-14,16,18H,3-6,15H2,1-2H3