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

Systemtic Name: N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-2,1,3-benzothiadiazole-4-sulfonamide Openeye Name: N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-2,1,3-benzothiadiazole-4-sulfonamide CAS Name: N-[3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]-2,1,3-benzothiadiazole-4-sulfonamide IUPAC Name: N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-2,1,3-benzothiadiazole-4-sulfonamide Traditional Name: N-[3-[4-(2-pyrimidyl)piperazino]propyl]piazthiole-4-sulfonamide Formula: C17H21N7O2S2 MolecularWeight: 419.52434

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCNS(=O)(=O)C2=CC=CC3=NSN=C32)C4=NC=CC=N4

Isomeric SMILES

C1CN(CCN1CCCNS(=O)(=O)C2=CC=CC3=NSN=C32)C4=NC=CC=N4

InChI

InChI=1S/C17H21N7O2S2/c25-28(26,15-5-1-4-14-16(15)22-27-21-14)20-8-3-9-23-10-12-24(13-11-23)17-18-6-2-7-19-17/h1-2,4-7,20H,3,8-13H2