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

Systemtic Name: 4-[4-[(4-phenylphenyl)methyl]piperazin-4-ium-1-yl]sulfonyl-2,1,3-benzothiadiazole Openeye Name: 4-[4-[(4-phenylphenyl)methyl]piperazin-4-ium-1-yl]sulfonyl-2,1,3-benzothiadiazole CAS Name: 4-[[4-[(4-phenylphenyl)methyl]-1-piperazin-4-iumyl]sulfonyl]-2,1,3-benzothiadiazole IUPAC Name: 4-[4-[(4-phenylphenyl)methyl]piperazin-4-ium-1-yl]sulfonyl-2,1,3-benzothiadiazole Traditional Name: 4-[4-(4-phenylbenzyl)piperazin-4-ium-1-yl]sulfonylpiazthiole Formula: C23H23N4O2S2+ MolecularWeight: 451.58432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22N4O2S2/c28-31(29,22-8-4-7-21-23(22)25-30-24-21)27-15-13-26(14-16-27)17-18-9-11-20(12-10-18)19-5-2-1-3-6-19/h1-12H,13-17H2/p+1