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

Systemtic Name: [3-[[butan-2-yl(2-phenylmethoxyethanoyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[(2-benzyloxyacetyl)-sec-butyl-amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[butan-2-yl-(1-oxo-2-phenylmethoxyethyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[butan-2-yl-(2-phenylmethoxyacetyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[(2-benzoxyacetyl)-sec-butyl-amino]methyl]phenyl] ester Formula: C26H28FNO5S MolecularWeight: 485.567623

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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)COCC3=CC=CC=C3

Isomeric SMILES

CCC(C)N(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)COCC3=CC=CC=C3

InChI

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