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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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