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

Systemtic Name: [4-[[2-phenylbutanoyl(propan-2-yl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-[[isopropyl(2-phenylbutanoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-[[(1-oxo-2-phenylbutyl)-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [4-[[2-phenylbutanoyl(propan-2-yl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-[[isopropyl(2-phenylbutanoyl)amino]methyl]phenyl] ester Formula: C26H28FNO4S MolecularWeight: 469.568223

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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)C(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)C(C)C

InChI

InChI=1S/C26H28FNO4S/c1-4-25(21-8-6-5-7-9-21)26(29)28(19(2)3)18-20-10-14-23(15-11-20)32-33(30,31)24-16-12-22(27)13-17-24/h5-17,19,25H,4,18H2,1-3H3