[3-[[2-methylpropyl(pentanoyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [3-[[2-methylpropyl(pentanoyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[isobutyl(pentanoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[2-methylpropyl(1-oxopentyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[2-methylpropyl(pentanoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[isobutyl(valeryl)amino]methyl]phenyl] ester Formula: C22H28FNO4S MolecularWeight: 421.525423

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28FNO4S/c1-4-5-9-22(25)24(15-17(2)3)16-18-7-6-8-20(14-18)28-29(26,27)21-12-10-19(23)11-13-21/h6-8,10-14,17H,4-5,9,15-16H2,1-3H3