1,1,3-tris(oxidanylidene)-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1,2-benzothiazole-6-sulfonamide

Systemtic Name: 1,1,3-tris(oxidanylidene)-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1,2-benzothiazole-6-sulfonamide Openeye Name: 1,1,3-trioxo-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1,2-benzothiazole-6-sulfonamide CAS Name: 1,1,3-trioxo-2-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-1,2-benzothiazole-6-sulfonamide IUPAC Name: 1,1,3-trioxo-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1,2-benzothiazole-6-sulfonamide Traditional Name: 1,1,3-triketo-2-[4-[4-(2-pyrimidyl)piperazino]butyl]-1,2-benzothiazole-6-sulfonamide Formula: C19H24N6O5S2 MolecularWeight: 480.56106

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCN2C(=O)C3=C(S2(=O)=O)C=C(C=C3)S(=O)(=O)N)C4=NC=CC=N4

Isomeric SMILES

C1CN(CCN1CCCCN2C(=O)C3=C(S2(=O)=O)C=C(C=C3)S(=O)(=O)N)C4=NC=CC=N4

InChI

InChI=1S/C19H24N6O5S2/c20-31(27,28)15-4-5-16-17(14-15)32(29,30)25(18(16)26)9-2-1-8-23-10-12-24(13-11-23)19-21-6-3-7-22-19/h3-7,14H,1-2,8-13H2,(H2,20,27,28)