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

Systemtic Name: [3-[[butan-2-yl(2-phenylbutanoyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[2-phenylbutanoyl(sec-butyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[butan-2-yl-(1-oxo-2-phenylbutyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[butan-2-yl(2-phenylbutanoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[2-phenylbutanoyl(sec-butyl)amino]methyl]phenyl] ester Formula: C27H30FNO4S MolecularWeight: 483.594803

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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)C(CC)C3=CC=CC=C3

Isomeric SMILES

CCC(C)N(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)C(CC)C3=CC=CC=C3

InChI

InChI=1S/C27H30FNO4S/c1-4-20(3)29(27(30)26(5-2)22-11-7-6-8-12-22)19-21-10-9-13-24(18-21)33-34(31,32)25-16-14-23(28)15-17-25/h6-18,20,26H,4-5,19H2,1-3H3