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

Systemtic Name: [4-[[cyclopentylcarbonyl(2-methoxyethyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-[[cyclopentanecarbonyl(2-methoxyethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-[[[cyclopentyl(oxo)methyl]-(2-methoxyethyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[cyclopentanecarbonyl(2-methoxyethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-[[cyclopentanecarbonyl(2-methoxyethyl)amino]methyl]phenyl] ester Formula: C22H26FNO5S MolecularWeight: 435.508943

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26FNO5S/c1-28-15-14-24(22(25)18-4-2-3-5-18)16-17-6-10-20(11-7-17)29-30(26,27)21-12-8-19(23)9-13-21/h6-13,18H,2-5,14-16H2,1H3