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

Systemtic Name: [4-[[butan-2-yl(2-phenylbutanoyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-[[2-phenylbutanoyl(sec-butyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-[[butan-2-yl-(1-oxo-2-phenylbutyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[butan-2-yl(2-phenylbutanoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-[[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=C(C=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=C(C=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)22-9-7-6-8-10-22)19-21-11-15-24(16-12-21)33-34(31,32)25-17-13-23(28)14-18-25/h6-18,20,26H,4-5,19H2,1-3H3