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

Systemtic Name: [4-[[2-methoxyethyl(2-phenylbutanoyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-[[2-methoxyethyl(2-phenylbutanoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-[[2-methoxyethyl-(1-oxo-2-phenylbutyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[2-methoxyethyl(2-phenylbutanoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-[[2-methoxyethyl(2-phenylbutanoyl)amino]methyl]phenyl] ester Formula: C26H28FNO5S MolecularWeight: 485.567623

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H28FNO5S/c1-3-25(21-7-5-4-6-8-21)26(29)28(17-18-32-2)19-20-9-13-23(14-10-20)33-34(30,31)24-15-11-22(27)12-16-24/h4-16,25H,3,17-19H2,1-2H3