1-(4-methylsulfonyl-2-nitro-phenyl)azepane

Systemtic Name: 1-(4-methylsulfonyl-2-nitro-phenyl)azepane Openeye Name: 1-(4-methylsulfonyl-2-nitro-phenyl)azepane CAS Name: 1-(4-methylsulfonyl-2-nitrophenyl)azepane IUPAC Name: 1-(4-methylsulfonyl-2-nitrophenyl)azepane Traditional Name: 1-(4-mesyl-2-nitro-phenyl)azepane Formula: C13H18N2O4S MolecularWeight: 298.35802

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)N2CCCCCC2)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)N2CCCCCC2)[N+](=O)[O-]

InChI

InChI=1S/C13H18N2O4S/c1-20(18,19)11-6-7-12(13(10-11)15(16)17)14-8-4-2-3-5-9-14/h6-7,10H,2-5,8-9H2,1H3