2-[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-fluoranyl-phenyl]sulfanylethyl-dimethyl-(phenylsulfonyl)azanium

Systemtic Name: 2-[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-fluoranyl-phenyl]sulfanylethyl-dimethyl-(phenylsulfonyl)azanium Openeye Name: 2-[4-(2-amino-2-oxo-ethoxy)-3-fluoro-phenyl]sulfanylethyl-(benzenesulfonyl)-dimethyl-ammonium CAS Name: 2-[[4-(2-amino-2-oxoethoxy)-3-fluorophenyl]thio]ethyl-(benzenesulfonyl)-dimethylammonium IUPAC Name: 2-[4-(2-amino-2-oxoethoxy)-3-fluorophenyl]sulfanylethyl-(benzenesulfonyl)-dimethylazanium Traditional Name: 2-[[4-(2-amino-2-keto-ethoxy)-3-fluoro-phenyl]thio]ethyl-besyl-dimethyl-ammonium Formula: C18H22FN2O4S2+ MolecularWeight: 413.506683

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCSC1=CC(=C(C=C1)OCC(=O)N)F)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

C[N+](C)(CCSC1=CC(=C(C=C1)OCC(=O)N)F)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C18H21FN2O4S2/c1-21(2,27(23,24)15-6-4-3-5-7-15)10-11-26-14-8-9-17(16(19)12-14)25-13-18(20)22/h3-9,12H,10-11,13H2,1-2H3,(H-,20,22)/p+1