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

Systemtic Name: N-[3-oxidanylidene-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-2,1,3-benzothiadiazole-4-sulfonamide Openeye Name: N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-2,1,3-benzothiadiazole-4-sulfonamide CAS Name: N-[3-oxo-3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]-2,1,3-benzothiadiazole-4-sulfonamide IUPAC Name: N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-2,1,3-benzothiadiazole-4-sulfonamide Traditional Name: N-[3-keto-3-[4-(2-pyrimidyl)piperazino]propyl]piazthiole-4-sulfonamide Formula: C17H19N7O3S2 MolecularWeight: 433.50786

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)CCNS(=O)(=O)C3=CC=CC4=NSN=C43

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)CCNS(=O)(=O)C3=CC=CC4=NSN=C43

InChI

InChI=1S/C17H19N7O3S2/c25-15(23-9-11-24(12-10-23)17-18-6-2-7-19-17)5-8-20-29(26,27)14-4-1-3-13-16(14)22-28-21-13/h1-4,6-7,20H,5,8-12H2