[3-[[butan-2-yl(cyclopentylcarbonyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [3-[[butan-2-yl(cyclopentylcarbonyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[cyclopentanecarbonyl(sec-butyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[butan-2-yl-[cyclopentyl(oxo)methyl]amino]methyl]phenyl] ester IUPAC Name: [3-[[butan-2-yl(cyclopentanecarbonyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[cyclopentanecarbonyl(sec-butyl)amino]methyl]phenyl] ester Formula: C23H28FNO4S MolecularWeight: 433.536123

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)C3CCCC3

Isomeric SMILES

CCC(C)N(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)C3CCCC3

InChI

InChI=1S/C23H28FNO4S/c1-3-17(2)25(23(26)19-8-4-5-9-19)16-18-7-6-10-21(15-18)29-30(27,28)22-13-11-20(24)12-14-22/h6-7,10-15,17,19H,3-5,8-9,16H2,1-2H3