[3-[[2-phenoxyethanoyl(propan-2-yl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [3-[[2-phenoxyethanoyl(propan-2-yl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[isopropyl-(2-phenoxyacetyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[(1-oxo-2-phenoxyethyl)-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [3-[[(2-phenoxyacetyl)-propan-2-ylamino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[isopropyl-(2-phenoxyacetyl)amino]methyl]phenyl] ester Formula: C24H24FNO5S MolecularWeight: 457.514463

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)COC3=CC=CC=C3

Isomeric SMILES

CC(C)N(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)COC3=CC=CC=C3

InChI

InChI=1S/C24H24FNO5S/c1-18(2)26(24(27)17-30-21-8-4-3-5-9-21)16-19-7-6-10-22(15-19)31-32(28,29)23-13-11-20(25)12-14-23/h3-15,18H,16-17H2,1-2H3