N-[3-oxidanylidene-3-(4-pyridin-4-ylpiperazin-1-yl)propyl]-2,1,3-benzothiadiazole-5-sulfonamide

Systemtic Name: N-[3-oxidanylidene-3-(4-pyridin-4-ylpiperazin-1-yl)propyl]-2,1,3-benzothiadiazole-5-sulfonamide Openeye Name: N-[3-oxo-3-[4-(4-pyridyl)piperazin-1-yl]propyl]-2,1,3-benzothiadiazole-5-sulfonamide CAS Name: N-[3-oxo-3-(4-pyridin-4-yl-1-piperazinyl)propyl]-2,1,3-benzothiadiazole-5-sulfonamide IUPAC Name: N-[3-oxo-3-(4-pyridin-4-ylpiperazin-1-yl)propyl]-2,1,3-benzothiadiazole-5-sulfonamide Traditional Name: N-[3-keto-3-[4-(4-pyridyl)piperazino]propyl]piazthiole-5-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=CC4=NSN=C4C=C3

Isomeric SMILES

C1CN(CCN1C2=CC=NC=C2)C(=O)CCNS(=O)(=O)C3=CC4=NSN=C4C=C3

InChI

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