1-[2,4-bis(fluoranyl)-5-nitro-phenyl]sulfonyl-1,4-diazepan-4-ium

Systemtic Name: 1-[2,4-bis(fluoranyl)-5-nitro-phenyl]sulfonyl-1,4-diazepan-4-ium Openeye Name: 1-(2,4-difluoro-5-nitro-phenyl)sulfonyl-1,4-diazepan-4-ium CAS Name: 1-(2,4-difluoro-5-nitrophenyl)sulfonyl-1,4-diazepan-4-ium IUPAC Name: 1-(2,4-difluoro-5-nitrophenyl)sulfonyl-1,4-diazepan-4-ium Traditional Name: 1-(2,4-difluoro-5-nitro-phenyl)sulfonyl-1,4-diazepan-4-ium Formula: C11H14F2N3O4S+ MolecularWeight: 322.308366

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCN(C1)S(=O)(=O)C2=C(C=C(C(=C2)[N+](=O)[O-])F)F

Isomeric SMILES

C1C[NH2+]CCN(C1)S(=O)(=O)C2=C(C=C(C(=C2)[N+](=O)[O-])F)F

InChI

InChI=1S/C11H13F2N3O4S/c12-8-6-9(13)11(7-10(8)16(17)18)21(19,20)15-4-1-2-14-3-5-15/h6-7,14H,1-5H2/p+1