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

Systemtic Name: 2-[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-fluoranyl-phenyl]sulfanylethyl-(4-chlorophenyl)sulfonyl-dimethyl-azanium Openeye Name: 2-[4-(2-amino-2-oxo-ethoxy)-3-fluoro-phenyl]sulfanylethyl-(4-chlorophenyl)sulfonyl-dimethyl-ammonium CAS Name: 2-[[4-(2-amino-2-oxoethoxy)-3-fluorophenyl]thio]ethyl-(4-chlorophenyl)sulfonyl-dimethylammonium IUPAC Name: 2-[4-(2-amino-2-oxoethoxy)-3-fluorophenyl]sulfanylethyl-(4-chlorophenyl)sulfonyl-dimethylazanium Traditional Name: 2-[[4-(2-amino-2-keto-ethoxy)-3-fluoro-phenyl]thio]ethyl-(4-chlorophenyl)sulfonyl-dimethyl-ammonium Formula: C18H21ClFN2O4S2+ MolecularWeight: 447.951743

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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=C(C=C2)Cl

Isomeric SMILES

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

InChI

InChI=1S/C18H20ClFN2O4S2/c1-22(2,28(24,25)15-6-3-13(19)4-7-15)9-10-27-14-5-8-17(16(20)11-14)26-12-18(21)23/h3-8,11H,9-10,12H2,1-2H3,(H-,21,23)/p+1