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

Systemtic Name: [3-[[butan-2-yl(2-phenylsulfanylethanoyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[(2-phenylsulfanylacetyl)-sec-butyl-amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[butan-2-yl-[1-oxo-2-(phenylthio)ethyl]amino]methyl]phenyl] ester IUPAC Name: [3-[[butan-2-yl-(2-phenylsulfanylacetyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[[2-(phenylthio)acetyl]-sec-butyl-amino]methyl]phenyl] ester Formula: C25H26FNO4S2 MolecularWeight: 487.606643

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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)CSC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C25H26FNO4S2/c1-3-19(2)27(25(28)18-32-23-10-5-4-6-11-23)17-20-8-7-9-22(16-20)31-33(29,30)24-14-12-21(26)13-15-24/h4-16,19H,3,17-18H2,1-2H3