1-(2-fluoranyl-5-methylsulfonyl-phenyl)sulfonylazepane

Systemtic Name: 1-(2-fluoranyl-5-methylsulfonyl-phenyl)sulfonylazepane Openeye Name: 1-(2-fluoro-5-methylsulfonyl-phenyl)sulfonylazepane CAS Name: 1-(2-fluoro-5-methylsulfonylphenyl)sulfonylazepane IUPAC Name: 1-(2-fluoro-5-methylsulfonylphenyl)sulfonylazepane Traditional Name: 1-(2-fluoro-5-mesyl-phenyl)sulfonylazepane Formula: C13H18FNO4S2 MolecularWeight: 335.414723

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)F)S(=O)(=O)N2CCCCCC2

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)F)S(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C13H18FNO4S2/c1-20(16,17)11-6-7-12(14)13(10-11)21(18,19)15-8-4-2-3-5-9-15/h6-7,10H,2-5,8-9H2,1H3