[5-[[3-cyclopentylpropanoyl(2-methylpropyl)amino]methyl]-2-methoxy-phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [5-[[3-cyclopentylpropanoyl(2-methylpropyl)amino]methyl]-2-methoxy-phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [5-[[3-cyclopentylpropanoyl(isobutyl)amino]methyl]-2-methoxy-phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [5-[[(3-cyclopentyl-1-oxopropyl)-(2-methylpropyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[3-cyclopentylpropanoyl(2-methylpropyl)amino]methyl]-2-methoxyphenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [5-[[3-cyclopentylpropanoyl(isobutyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C26H34FNO5S MolecularWeight: 491.615263

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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)CCC3CCCC3

Isomeric SMILES

CC(C)CN(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)CCC3CCCC3

InChI

InChI=1S/C26H34FNO5S/c1-19(2)17-28(26(29)15-9-20-6-4-5-7-20)18-21-8-14-24(32-3)25(16-21)33-34(30,31)23-12-10-22(27)11-13-23/h8,10-14,16,19-20H,4-7,9,15,17-18H2,1-3H3