4-[(2Z)-2-[1-(1-oxidanidylpyridin-1-ium-3-yl)carbonyl-5-oxidanylidene-3-propyl-pyrazol-4-ylidene]hydrazinyl]-N-pyrimidin-2-yl-benzenesulfonamide

Systemtic Name: 4-[(2Z)-2-[1-(1-oxidanidylpyridin-1-ium-3-yl)carbonyl-5-oxidanylidene-3-propyl-pyrazol-4-ylidene]hydrazinyl]-N-pyrimidin-2-yl-benzenesulfonamide Openeye Name: 4-[(2Z)-2-[1-(1-oxidopyridin-1-ium-3-carbonyl)-5-oxo-3-propyl-pyrazol-4-ylidene]hydrazino]-N-pyrimidin-2-yl-benzenesulfonamide CAS Name: 4-[(2Z)-2-[1-[(1-oxido-3-pyridin-1-iumyl)-oxomethyl]-5-oxo-3-propyl-4-pyrazolylidene]hydrazinyl]-N-(2-pyrimidinyl)benzenesulfonamide IUPAC Name: 4-[(2Z)-2-[1-(1-oxidopyridin-1-ium-3-carbonyl)-5-oxo-3-propylpyrazol-4-ylidene]hydrazinyl]-N-pyrimidin-2-ylbenzenesulfonamide Traditional Name: 4-[(N'Z)-N'-[5-keto-1-(1-oxidopyridin-1-ium-3-carbonyl)-3-propyl-2-pyrazolin-4-ylidene]hydrazino]-N-(2-pyrimidyl)benzenesulfonamide Formula: C22H20N8O5S MolecularWeight: 508.5098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1=NNC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3)C(=O)C4=C[N+](=CC=C4)[O-]

Isomeric SMILES

CCCC\1=NN(C(=O)/C1=N\NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3)C(=O)C4=C[N+](=CC=C4)[O-]

InChI

InChI=1S/C22H20N8O5S/c1-2-5-18-19(21(32)30(27-18)20(31)15-6-3-13-29(33)14-15)26-25-16-7-9-17(10-8-16)36(34,35)28-22-23-11-4-12-24-22/h3-4,6-14,25H,2,5H2,1H3,(H,23,24,28)/b26-19-