(1-ethyl-5-nitro-imidazol-2-yl)methyl benzenesulfonate

Systemtic Name: (1-ethyl-5-nitro-imidazol-2-yl)methyl benzenesulfonate Openeye Name: (1-ethyl-5-nitro-imidazol-2-yl)methyl benzenesulfonate CAS Name: benzenesulfonic acid (1-ethyl-5-nitro-2-imidazolyl)methyl ester IUPAC Name: (1-ethyl-5-nitroimidazol-2-yl)methyl benzenesulfonate Traditional Name: benzenesulfonic acid (1-ethyl-5-nitro-imidazol-2-yl)methyl ester Formula: C12H13N3O5S MolecularWeight: 311.31372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CN=C1COS(=O)(=O)C2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCN1C(=CN=C1COS(=O)(=O)C2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H13N3O5S/c1-2-14-11(13-8-12(14)15(16)17)9-20-21(18,19)10-6-4-3-5-7-10/h3-8H,2,9H2,1H3