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

Systemtic Name: [3-[[[(2S)-butan-2-yl]-cyclobutylcarbonyl-amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[cyclobutanecarbonyl-[(1S)-1-methylpropyl]amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[[(2S)-butan-2-yl]-[cyclobutyl(oxo)methyl]amino]methyl]phenyl] ester IUPAC Name: [3-[[[(2S)-butan-2-yl]-(cyclobutanecarbonyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[cyclobutanecarbonyl-[(1S)-1-methylpropyl]amino]methyl]phenyl] ester Formula: C22H26FNO4S MolecularWeight: 419.509543

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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)C3CCC3

Isomeric SMILES

CC[C@H](C)N(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)C3CCC3

InChI

InChI=1S/C22H26FNO4S/c1-3-16(2)24(22(25)18-7-5-8-18)15-17-6-4-9-20(14-17)28-29(26,27)21-12-10-19(23)11-13-21/h4,6,9-14,16,18H,3,5,7-8,15H2,1-2H3/t16-/m0/s1