4-[4-(1-adamantyl)piperazin-1-yl]sulfonyl-5-methyl-2,1,3-benzothiadiazole

Systemtic Name: 4-[4-(1-adamantyl)piperazin-1-yl]sulfonyl-5-methyl-2,1,3-benzothiadiazole Openeye Name: 4-[4-(1-adamantyl)piperazin-1-yl]sulfonyl-5-methyl-2,1,3-benzothiadiazole CAS Name: 4-[[4-(1-adamantyl)-1-piperazinyl]sulfonyl]-5-methyl-2,1,3-benzothiadiazole IUPAC Name: 4-[4-(1-adamantyl)piperazin-1-yl]sulfonyl-5-methyl-2,1,3-benzothiadiazole Traditional Name: 4-[4-(1-adamantyl)piperazino]sulfonyl-5-methyl-piazthiole Formula: C21H28N4O2S2 MolecularWeight: 432.60262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NSN=C2C=C1)S(=O)(=O)N3CCN(CC3)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=C(C2=NSN=C2C=C1)S(=O)(=O)N3CCN(CC3)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C21H28N4O2S2/c1-14-2-3-18-19(23-28-22-18)20(14)29(26,27)25-6-4-24(5-7-25)21-11-15-8-16(12-21)10-17(9-15)13-21/h2-3,15-17H,4-13H2,1H3