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

Systemtic Name: [3-[[3-cyclopentylpropanoyl(propan-2-yl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[3-cyclopentylpropanoyl(isopropyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[(3-cyclopentyl-1-oxopropyl)-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [3-[[3-cyclopentylpropanoyl(propan-2-yl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[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(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)CCC3CCCC3

Isomeric SMILES

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

InChI

InChI=1S/C24H30FNO4S/c1-18(2)26(24(27)15-10-19-6-3-4-7-19)17-20-8-5-9-22(16-20)30-31(28,29)23-13-11-21(25)12-14-23/h5,8-9,11-14,16,18-19H,3-4,6-7,10,15,17H2,1-2H3