[4-[[[(2R)-butan-2-yl]-pentanoyl-amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [4-[[[(2R)-butan-2-yl]-pentanoyl-amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-[[[(1R)-1-methylpropyl]-pentanoyl-amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-[[[(2R)-butan-2-yl]-(1-oxopentyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[[(2R)-butan-2-yl]-pentanoylamino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-[[[(1R)-1-methylpropyl]-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=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)F)C(C)CC

Isomeric SMILES

CCCCC(=O)N(CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)F)[C@H](C)CC

InChI

InChI=1S/C22H28FNO4S/c1-4-6-7-22(25)24(17(3)5-2)16-18-8-12-20(13-9-18)28-29(26,27)21-14-10-19(23)11-15-21/h8-15,17H,4-7,16H2,1-3H3/t17-/m1/s1