N-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]-4-nitro-benzenesulfonamide

Systemtic Name: N-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]-4-nitro-benzenesulfonamide Openeye Name: N-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]-4-nitro-benzenesulfonamide CAS Name: N-[2-(2-methyl-5-nitro-1-imidazolyl)ethyl]-4-nitrobenzenesulfonamide IUPAC Name: N-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]-4-nitrobenzenesulfonamide Traditional Name: N-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]-4-nitro-benzenesulfonamide Formula: C12H13N5O6S MolecularWeight: 355.32652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CCNS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1CCNS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H13N5O6S/c1-9-13-8-12(17(20)21)15(9)7-6-14-24(22,23)11-4-2-10(3-5-11)16(18)19/h2-5,8,14H,6-7H2,1H3