4-[2-(2-methyl-5-nitro-imidazol-1-yl)ethoxy]-2-oxidanidyl-3-(phenylsulfonyl)-1,2,5-oxadiazol-2-ium

Systemtic Name: 4-[2-(2-methyl-5-nitro-imidazol-1-yl)ethoxy]-2-oxidanidyl-3-(phenylsulfonyl)-1,2,5-oxadiazol-2-ium Openeye Name: 3-(benzenesulfonyl)-4-[2-(2-methyl-5-nitro-imidazol-1-yl)ethoxy]-2-oxido-1,2,5-oxadiazol-2-ium CAS Name: 3-(benzenesulfonyl)-4-[2-(2-methyl-5-nitro-1-imidazolyl)ethoxy]-2-oxido-1,2,5-oxadiazol-2-ium IUPAC Name: 3-(benzenesulfonyl)-4-[2-(2-methyl-5-nitroimidazol-1-yl)ethoxy]-2-oxido-1,2,5-oxadiazol-2-ium Traditional Name: 3-besyl-4-[2-(2-methyl-5-nitro-imidazol-1-yl)ethoxy]-2-oxido-furazan-2-ium Formula: C14H13N5O7S MolecularWeight: 395.34732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CCOC2=NO[N+](=C2S(=O)(=O)C3=CC=CC=C3)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1CCOC2=NO[N+](=C2S(=O)(=O)C3=CC=CC=C3)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H13N5O7S/c1-10-15-9-12(18(20)21)17(10)7-8-25-13-14(19(22)26-16-13)27(23,24)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3