1-(4-fluorophenyl)sulfonyl-4-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1,4-diazepan-4-ium

Systemtic Name: 1-(4-fluorophenyl)sulfonyl-4-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1,4-diazepan-4-ium Openeye Name: 1-(4-fluorophenyl)sulfonyl-4-[(E)-2-(5-nitro-2-furyl)vinyl]-1,4-diazepan-4-ium CAS Name: 1-(4-fluorophenyl)sulfonyl-4-[(E)-2-(5-nitro-2-furanyl)ethenyl]-1,4-diazepan-4-ium IUPAC Name: 1-(4-fluorophenyl)sulfonyl-4-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1,4-diazepan-4-ium Traditional Name: 1-(4-fluorophenyl)sulfonyl-4-[(E)-2-(5-nitro-2-furyl)vinyl]-1,4-diazepan-4-ium Formula: C17H19FN3O5S+ MolecularWeight: 396.413263

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C=CC3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

C1C[NH+](CCN(C1)S(=O)(=O)C2=CC=C(C=C2)F)/C=C/C3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C17H18FN3O5S/c18-14-2-5-16(6-3-14)27(24,25)20-10-1-9-19(12-13-20)11-8-15-4-7-17(26-15)21(22)23/h2-8,11H,1,9-10,12-13H2/p+1/b11-8+