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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)N(CC2=CC=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)F)CC(C)C

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)N(CC2=CC=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)F)CC(C)C

InChI

InChI=1S/C27H30FNO4S/c1-4-26(22-8-6-5-7-9-22)27(30)29(18-20(2)3)19-21-10-14-24(15-11-21)33-34(31,32)25-16-12-23(28)13-17-25/h5-17,20,26H,4,18-19H2,1-3H3