2-methyl-4-nitro-1-[2-(phenylsulfonyl)ethyl]imidazole

Systemtic Name: 2-methyl-4-nitro-1-[2-(phenylsulfonyl)ethyl]imidazole Openeye Name: 1-[2-(benzenesulfonyl)ethyl]-2-methyl-4-nitro-imidazole CAS Name: 1-[2-(benzenesulfonyl)ethyl]-2-methyl-4-nitroimidazole IUPAC Name: 1-[2-(benzenesulfonyl)ethyl]-2-methyl-4-nitroimidazole Traditional Name: 1-(2-besylethyl)-2-methyl-4-nitro-imidazole Formula: C12H13N3O4S MolecularWeight: 295.31432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CN1CCS(=O)(=O)C2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=CN1CCS(=O)(=O)C2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H13N3O4S/c1-10-13-12(15(16)17)9-14(10)7-8-20(18,19)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3