[4-[[[(2S)-butan-2-yl]-propanoyl-amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [4-[[[(2S)-butan-2-yl]-propanoyl-amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-[[[(1S)-1-methylpropyl]-propanoyl-amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-[[[(2S)-butan-2-yl]-(1-oxopropyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[[(2S)-butan-2-yl]-propanoylamino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-[[[(1S)-1-methylpropyl]-propionyl-amino]methyl]phenyl] ester Formula: C20H24FNO4S MolecularWeight: 393.472263

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24FNO4S/c1-4-15(3)22(20(23)5-2)14-16-6-10-18(11-7-16)26-27(24,25)19-12-8-17(21)9-13-19/h6-13,15H,4-5,14H2,1-3H3/t15-/m0/s1