N-[2-(6-cyclohexylsulfonyl-1-oxidanidyl-pyridazin-1-ium-3-yl)sulfonylethyl]ethanamide

Systemtic Name: N-[2-(6-cyclohexylsulfonyl-1-oxidanidyl-pyridazin-1-ium-3-yl)sulfonylethyl]ethanamide Openeye Name: N-[2-(6-cyclohexylsulfonyl-1-oxido-pyridazin-1-ium-3-yl)sulfonylethyl]acetamide CAS Name: N-[2-[(6-cyclohexylsulfonyl-1-oxido-3-pyridazin-1-iumyl)sulfonyl]ethyl]acetamide IUPAC Name: N-[2-(6-cyclohexylsulfonyl-1-oxidopyridazin-1-ium-3-yl)sulfonylethyl]acetamide Traditional Name: N-[2-(6-cyclohexylsulfonyl-1-oxido-pyridazin-1-ium-3-yl)sulfonylethyl]acetamide Formula: C14H21N3O6S2 MolecularWeight: 391.46304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCS(=O)(=O)C1=N[N+](=C(C=C1)S(=O)(=O)C2CCCCC2)[O-]

Isomeric SMILES

CC(=O)NCCS(=O)(=O)C1=N[N+](=C(C=C1)S(=O)(=O)C2CCCCC2)[O-]

InChI

InChI=1S/C14H21N3O6S2/c1-11(18)15-9-10-24(20,21)13-7-8-14(17(19)16-13)25(22,23)12-5-3-2-4-6-12/h7-8,12H,2-6,9-10H2,1H3,(H,15,18)