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

Systemtic Name: [4-[[3-cyclopentylpropanoyl(2-methoxyethyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-[[3-cyclopentylpropanoyl(2-methoxyethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-[[(3-cyclopentyl-1-oxopropyl)-(2-methoxyethyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[3-cyclopentylpropanoyl(2-methoxyethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-[[3-cyclopentylpropanoyl(2-methoxyethyl)amino]methyl]phenyl] ester Formula: C24H30FNO5S MolecularWeight: 463.562103

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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)CCC3CCCC3

Isomeric SMILES

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

InChI

InChI=1S/C24H30FNO5S/c1-30-17-16-26(24(27)15-8-19-4-2-3-5-19)18-20-6-11-22(12-7-20)31-32(28,29)23-13-9-21(25)10-14-23/h6-7,9-14,19H,2-5,8,15-18H2,1H3