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

Systemtic Name: [3-[[cyclopentylcarbonyl(2-methoxyethyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[cyclopentanecarbonyl(2-methoxyethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[[cyclopentyl(oxo)methyl]-(2-methoxyethyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[cyclopentanecarbonyl(2-methoxyethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[cyclopentanecarbonyl(2-methoxyethyl)amino]methyl]phenyl] ester Formula: C22H26FNO5S MolecularWeight: 435.508943

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26FNO5S/c1-28-14-13-24(22(25)18-6-2-3-7-18)16-17-5-4-8-20(15-17)29-30(26,27)21-11-9-19(23)10-12-21/h4-5,8-12,15,18H,2-3,6-7,13-14,16H2,1H3