1-[2-fluoranyl-4-(phenylsulfonyl)phenyl]-1,4-diazepan-4-ium

Systemtic Name: 1-[2-fluoranyl-4-(phenylsulfonyl)phenyl]-1,4-diazepan-4-ium Openeye Name: 1-[4-(benzenesulfonyl)-2-fluoro-phenyl]-1,4-diazepan-4-ium CAS Name: 1-[4-(benzenesulfonyl)-2-fluorophenyl]-1,4-diazepan-4-ium IUPAC Name: 1-[4-(benzenesulfonyl)-2-fluorophenyl]-1,4-diazepan-4-ium Traditional Name: 1-(4-besyl-2-fluoro-phenyl)-1,4-diazepan-4-ium Formula: C17H20FN2O2S+ MolecularWeight: 335.416303

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCN(C1)C2=C(C=C(C=C2)S(=O)(=O)C3=CC=CC=C3)F

Isomeric SMILES

C1C[NH2+]CCN(C1)C2=C(C=C(C=C2)S(=O)(=O)C3=CC=CC=C3)F

InChI

InChI=1S/C17H19FN2O2S/c18-16-13-15(23(21,22)14-5-2-1-3-6-14)7-8-17(16)20-11-4-9-19-10-12-20/h1-3,5-8,13,19H,4,9-12H2/p+1