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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H34FNO5S/c1-4-19(2)28(26(29)16-10-20-7-5-6-8-20)18-21-9-15-24(32-3)25(17-21)33-34(30,31)23-13-11-22(27)12-14-23/h9,11-15,17,19-20H,4-8,10,16,18H2,1-3H3