1-ethyl-2-[(3-methylsulfonylphenoxy)methyl]-5-nitro-imidazole

Systemtic Name: 1-ethyl-2-[(3-methylsulfonylphenoxy)methyl]-5-nitro-imidazole Openeye Name: 1-ethyl-2-[(3-methylsulfonylphenoxy)methyl]-5-nitro-imidazole CAS Name: 1-ethyl-2-[(3-methylsulfonylphenoxy)methyl]-5-nitroimidazole IUPAC Name: 1-ethyl-2-[(3-methylsulfonylphenoxy)methyl]-5-nitroimidazole Traditional Name: 1-ethyl-2-[(3-mesylphenoxy)methyl]-5-nitro-imidazole Formula: C13H15N3O5S MolecularWeight: 325.3403

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CN=C1COC2=CC(=CC=C2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCN1C(=CN=C1COC2=CC(=CC=C2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C13H15N3O5S/c1-3-15-12(14-8-13(15)16(17)18)9-21-10-5-4-6-11(7-10)22(2,19)20/h4-8H,3,9H2,1-2H3