1-(4-methylsulfonyl-2-nitro-phenyl)-1,4-diazepane

Systemtic Name: 1-(4-methylsulfonyl-2-nitro-phenyl)-1,4-diazepane Openeye Name: 1-(4-methylsulfonyl-2-nitro-phenyl)-1,4-diazepane CAS Name: 1-(4-methylsulfonyl-2-nitrophenyl)-1,4-diazepane IUPAC Name: 1-(4-methylsulfonyl-2-nitrophenyl)-1,4-diazepane Traditional Name: 1-(4-mesyl-2-nitro-phenyl)-1,4-diazepane Formula: C12H17N3O4S MolecularWeight: 299.34608

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)N2CCCNCC2)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)N2CCCNCC2)[N+](=O)[O-]

InChI

InChI=1S/C12H17N3O4S/c1-20(18,19)10-3-4-11(12(9-10)15(16)17)14-7-2-5-13-6-8-14/h3-4,9,13H,2,5-8H2,1H3