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

Systemtic Name: [3-[[2-phenylsulfanylethanoyl(propan-2-yl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[isopropyl-(2-phenylsulfanylacetyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[[1-oxo-2-(phenylthio)ethyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [3-[[(2-phenylsulfanylacetyl)-propan-2-ylamino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[isopropyl-[2-(phenylthio)acetyl]amino]methyl]phenyl] ester Formula: C24H24FNO4S2 MolecularWeight: 473.580063

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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)CSC3=CC=CC=C3

Isomeric SMILES

CC(C)N(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)CSC3=CC=CC=C3

InChI

InChI=1S/C24H24FNO4S2/c1-18(2)26(24(27)17-31-22-9-4-3-5-10-22)16-19-7-6-8-21(15-19)30-32(28,29)23-13-11-20(25)12-14-23/h3-15,18H,16-17H2,1-2H3