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

Systemtic Name: [4-[[butanoyl-[(2R)-butan-2-yl]amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-[[butanoyl-[(1R)-1-methylpropyl]amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-[[[(2R)-butan-2-yl]-(1-oxobutyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[butanoyl-[(2R)-butan-2-yl]amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-[[butyryl-[(1R)-1-methylpropyl]amino]methyl]phenyl] ester Formula: C21H26FNO4S MolecularWeight: 407.498843

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26FNO4S/c1-4-6-21(24)23(16(3)5-2)15-17-7-11-19(12-8-17)27-28(25,26)20-13-9-18(22)10-14-20/h7-14,16H,4-6,15H2,1-3H3/t16-/m1/s1