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

Systemtic Name: [3-[[butan-2-yl(3-phenylpropanoyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[3-phenylpropanoyl(sec-butyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[butan-2-yl-(1-oxo-3-phenylpropyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[butan-2-yl(3-phenylpropanoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[hydrocinnamoyl(sec-butyl)amino]methyl]phenyl] ester Formula: C26H28FNO4S MolecularWeight: 469.568223

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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)CCC3=CC=CC=C3

Isomeric SMILES

CCC(C)N(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C26H28FNO4S/c1-3-20(2)28(26(29)17-12-21-8-5-4-6-9-21)19-22-10-7-11-24(18-22)32-33(30,31)25-15-13-23(27)14-16-25/h4-11,13-16,18,20H,3,12,17,19H2,1-2H3