4-[4-[(1-phenylpyrazol-4-yl)methyl]piperazin-4-ium-1-yl]sulfonyl-2,1,3-benzothiadiazole

Systemtic Name: 4-[4-[(1-phenylpyrazol-4-yl)methyl]piperazin-4-ium-1-yl]sulfonyl-2,1,3-benzothiadiazole Openeye Name: 4-[4-[(1-phenylpyrazol-4-yl)methyl]piperazin-4-ium-1-yl]sulfonyl-2,1,3-benzothiadiazole CAS Name: 4-[[4-[(1-phenyl-4-pyrazolyl)methyl]-1-piperazin-4-iumyl]sulfonyl]-2,1,3-benzothiadiazole IUPAC Name: 4-[4-[(1-phenylpyrazol-4-yl)methyl]piperazin-4-ium-1-yl]sulfonyl-2,1,3-benzothiadiazole Traditional Name: 4-[4-[(1-phenylpyrazol-4-yl)methyl]piperazin-4-ium-1-yl]sulfonylpiazthiole Formula: C20H21N6O2S2+ MolecularWeight: 441.54974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CN(N=C2)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC5=NSN=C54

Isomeric SMILES

C1CN(CC[NH+]1CC2=CN(N=C2)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC5=NSN=C54

InChI

InChI=1S/C20H20N6O2S2/c27-30(28,19-8-4-7-18-20(19)23-29-22-18)25-11-9-24(10-12-25)14-16-13-21-26(15-16)17-5-2-1-3-6-17/h1-8,13,15H,9-12,14H2/p+1