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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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