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

Systemtic Name: 1-(4-ethylsulfonyl-2-nitro-phenyl)azepane Openeye Name: 1-(4-ethylsulfonyl-2-nitro-phenyl)azepane CAS Name: 1-(4-ethylsulfonyl-2-nitrophenyl)azepane IUPAC Name: 1-(4-ethylsulfonyl-2-nitrophenyl)azepane Traditional Name: 1-(4-esyl-2-nitro-phenyl)azepane Formula: C14H20N2O4S MolecularWeight: 312.3846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O4S/c1-2-21(19,20)12-7-8-13(14(11-12)16(17)18)15-9-5-3-4-6-10-15/h7-8,11H,2-6,9-10H2,1H3