1-[ethanoyl-[1-(phenylsulfonyl)-4H-pyrazol-1-ium-4-yl]-$l^{3}-iodanyl]ethanone

Systemtic Name: 1-[ethanoyl-[1-(phenylsulfonyl)-4H-pyrazol-1-ium-4-yl]-$l^{3}-iodanyl]ethanone Openeye Name: 1-[acetyl-[1-(benzenesulfonyl)-4H-pyrazol-1-ium-4-yl]-$l^{3}-iodanyl]ethanone CAS Name: 1-[acetyl-[1-(benzenesulfonyl)-4H-pyrazol-1-ium-4-yl]-$l^{3}-iodanyl]ethanone IUPAC Name: 1-[acetyl-[1-(benzenesulfonyl)-4H-pyrazol-1-ium-4-yl]-$l^{3}-iodanyl]ethanone Traditional Name: 1-[acetyl-(1-besyl-4H-pyrazol-1-ium-4-yl)iodinanyl]ethanone Formula: C13H14IN2O4S+ MolecularWeight: 421.23073

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)I(C1C=N[N+](=C1)S(=O)(=O)C2=CC=CC=C2)C(=O)C

Isomeric SMILES

CC(=O)I(C1C=N[N+](=C1)S(=O)(=O)C2=CC=CC=C2)C(=O)C

InChI

InChI=1S/C13H14IN2O4S/c1-10(17)14(11(2)18)12-8-15-16(9-12)21(19,20)13-6-4-3-5-7-13/h3-9,12H,1-2H3/q+1