N-[[4-(4-pyridin-2-ylpiperazin-1-yl)carbonylcyclohexyl]methyl]-2,1,3-benzothiadiazole-4-sulfonamide

Systemtic Name: N-[[4-(4-pyridin-2-ylpiperazin-1-yl)carbonylcyclohexyl]methyl]-2,1,3-benzothiadiazole-4-sulfonamide Openeye Name: N-[[4-[4-(2-pyridyl)piperazine-1-carbonyl]cyclohexyl]methyl]-2,1,3-benzothiadiazole-4-sulfonamide CAS Name: N-[[4-[oxo-[4-(2-pyridinyl)-1-piperazinyl]methyl]cyclohexyl]methyl]-2,1,3-benzothiadiazole-4-sulfonamide IUPAC Name: N-[[4-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclohexyl]methyl]-2,1,3-benzothiadiazole-4-sulfonamide Traditional Name: N-[[4-[4-(2-pyridyl)piperazine-1-carbonyl]cyclohexyl]methyl]piazthiole-4-sulfonamide Formula: C23H28N6O3S2 MolecularWeight: 500.63682

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CNS(=O)(=O)C2=CC=CC3=NSN=C32)C(=O)N4CCN(CC4)C5=CC=CC=N5

Isomeric SMILES

C1CC(CCC1CNS(=O)(=O)C2=CC=CC3=NSN=C32)C(=O)N4CCN(CC4)C5=CC=CC=N5

InChI

InChI=1S/C23H28N6O3S2/c30-23(29-14-12-28(13-15-29)21-6-1-2-11-24-21)18-9-7-17(8-10-18)16-25-34(31,32)20-5-3-4-19-22(20)27-33-26-19/h1-6,11,17-18,25H,7-10,12-16H2