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

Systemtic Name: 1,1,3-tris(oxidanylidene)-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1,2-benzothiazole-6-sulfonamide Openeye Name: 1,1,3-trioxo-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1,2-benzothiazole-6-sulfonamide CAS Name: 1,1,3-trioxo-2-[3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]-1,2-benzothiazole-6-sulfonamide IUPAC Name: 1,1,3-trioxo-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1,2-benzothiazole-6-sulfonamide Traditional Name: 1,1,3-triketo-2-[3-[4-(2-pyrimidyl)piperazino]propyl]-1,2-benzothiazole-6-sulfonamide Formula: C18H22N6O5S2 MolecularWeight: 466.53448

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCN2C(=O)C3=C(S2(=O)=O)C=C(C=C3)S(=O)(=O)N)C4=NC=CC=N4

Isomeric SMILES

C1CN(CCN1CCCN2C(=O)C3=C(S2(=O)=O)C=C(C=C3)S(=O)(=O)N)C4=NC=CC=N4

InChI

InChI=1S/C18H22N6O5S2/c19-30(26,27)14-3-4-15-16(13-14)31(28,29)24(17(15)25)8-2-7-22-9-11-23(12-10-22)18-20-5-1-6-21-18/h1,3-6,13H,2,7-12H2,(H2,19,26,27)