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

Systemtic Name: 4-[4-(1-adamantyl)piperazin-4-ium-1-yl]sulfonyl-2,1,3-benzothiadiazole Openeye Name: 4-[4-(1-adamantyl)piperazin-4-ium-1-yl]sulfonyl-2,1,3-benzothiadiazole CAS Name: 4-[[4-(1-adamantyl)-1-piperazin-4-iumyl]sulfonyl]-2,1,3-benzothiadiazole IUPAC Name: 4-[4-(1-adamantyl)piperazin-4-ium-1-yl]sulfonyl-2,1,3-benzothiadiazole Traditional Name: 4-[4-(1-adamantyl)piperazin-4-ium-1-yl]sulfonylpiazthiole Formula: C20H27N4O2S2+ MolecularWeight: 419.58398

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C23CC4CC(C2)CC(C4)C3)S(=O)(=O)C5=CC=CC6=NSN=C65

Isomeric SMILES

C1CN(CC[NH+]1C23CC4CC(C2)CC(C4)C3)S(=O)(=O)C5=CC=CC6=NSN=C65

InChI

InChI=1S/C20H26N4O2S2/c25-28(26,18-3-1-2-17-19(18)22-27-21-17)24-6-4-23(5-7-24)20-11-14-8-15(12-20)10-16(9-14)13-20/h1-3,14-16H,4-13H2/p+1