1-(4-fluoranyl-3-nitro-phenyl)sulfonylazocane

Systemtic Name: 1-(4-fluoranyl-3-nitro-phenyl)sulfonylazocane Openeye Name: 1-(4-fluoro-3-nitro-phenyl)sulfonylazocane CAS Name: 1-(4-fluoro-3-nitrophenyl)sulfonylazocane IUPAC Name: 1-(4-fluoro-3-nitrophenyl)sulfonylazocane Traditional Name: 1-(4-fluoro-3-nitro-phenyl)sulfonylazocane Formula: C13H17FN2O4S MolecularWeight: 316.348483

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)S(=O)(=O)C2=CC(=C(C=C2)F)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CCC1)S(=O)(=O)C2=CC(=C(C=C2)F)[N+](=O)[O-]

InChI

InChI=1S/C13H17FN2O4S/c14-12-7-6-11(10-13(12)16(17)18)21(19,20)15-8-4-2-1-3-5-9-15/h6-7,10H,1-5,8-9H2