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

Systemtic Name: [5-[[cyclopentylcarbonyl(2-methylpropyl)amino]methyl]-2-methoxy-phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [5-[[cyclopentanecarbonyl(isobutyl)amino]methyl]-2-methoxy-phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [5-[[[cyclopentyl(oxo)methyl]-(2-methylpropyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[cyclopentanecarbonyl(2-methylpropyl)amino]methyl]-2-methoxyphenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [5-[[cyclopentanecarbonyl(isobutyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C24H30FNO5S MolecularWeight: 463.562103

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30FNO5S/c1-17(2)15-26(24(27)19-6-4-5-7-19)16-18-8-13-22(30-3)23(14-18)31-32(28,29)21-11-9-20(25)10-12-21/h8-14,17,19H,4-7,15-16H2,1-3H3