2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1$l^{6},3$l^{6},2-benzodithiazole 1,1,3,3-tetraoxide

Systemtic Name: 2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1$l^{6},3$l^{6},2-benzodithiazole 1,1,3,3-tetraoxide Openeye Name: 2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1$l^{6},3$l^{6},2-benzodithiazole 1,1,3,3-tetraoxide CAS Name: 2-[2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]-1$l^{6},3$l^{6},2-benzodithiazole 1,1,3,3-tetraoxide IUPAC Name: 2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1$l^{6},3$l^{6},2-benzodithiazole 1,1,3,3-tetraoxide Traditional Name: 2-[2-[4-(2-pyrimidyl)piperazino]ethyl]-1$l^{6},3$l^{6},2-benzodithiazole 1,1,3,3-tetraoxide Formula: C16H19N5O4S2 MolecularWeight: 409.48316

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCN2S(=O)(=O)C3=CC=CC=C3S2(=O)=O)C4=NC=CC=N4

Isomeric SMILES

C1CN(CCN1CCN2S(=O)(=O)C3=CC=CC=C3S2(=O)=O)C4=NC=CC=N4

InChI

InChI=1S/C16H19N5O4S2/c22-26(23)14-4-1-2-5-15(14)27(24,25)21(26)13-10-19-8-11-20(12-9-19)16-17-6-3-7-18-16/h1-7H,8-13H2