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

Systemtic Name: [4-[[3-cyclopentylpropanoyl(propan-2-yl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-[[3-cyclopentylpropanoyl(isopropyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-[[(3-cyclopentyl-1-oxopropyl)-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [4-[[3-cyclopentylpropanoyl(propan-2-yl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-[[3-cyclopentylpropanoyl(isopropyl)amino]methyl]phenyl] ester Formula: C24H30FNO4S MolecularWeight: 447.562703

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30FNO4S/c1-18(2)26(24(27)16-9-19-5-3-4-6-19)17-20-7-12-22(13-8-20)30-31(28,29)23-14-10-21(25)11-15-23/h7-8,10-15,18-19H,3-6,9,16-17H2,1-2H3