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

Systemtic Name: N-[3-oxidanylidene-3-(4-pyridin-3-ylpiperazin-1-yl)propyl]-2,1,3-benzothiadiazole-4-sulfonamide Openeye Name: N-[3-oxo-3-[4-(3-pyridyl)piperazin-1-yl]propyl]-2,1,3-benzothiadiazole-4-sulfonamide CAS Name: N-[3-oxo-3-[4-(3-pyridinyl)-1-piperazinyl]propyl]-2,1,3-benzothiadiazole-4-sulfonamide IUPAC Name: N-[3-oxo-3-(4-pyridin-3-ylpiperazin-1-yl)propyl]-2,1,3-benzothiadiazole-4-sulfonamide Traditional Name: N-[3-keto-3-[4-(3-pyridyl)piperazino]propyl]piazthiole-4-sulfonamide Formula: C18H20N6O3S2 MolecularWeight: 432.5198

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CN=CC=C2)C(=O)CCNS(=O)(=O)C3=CC=CC4=NSN=C43

Isomeric SMILES

C1CN(CCN1C2=CN=CC=C2)C(=O)CCNS(=O)(=O)C3=CC=CC4=NSN=C43

InChI

InChI=1S/C18H20N6O3S2/c25-17(24-11-9-23(10-12-24)14-3-2-7-19-13-14)6-8-20-29(26,27)16-5-1-4-15-18(16)22-28-21-15/h1-5,7,13,20H,6,8-12H2