3,3-dimethyl-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1,2-benzothiazole 1,1-dioxide

Systemtic Name: 3,3-dimethyl-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1,2-benzothiazole 1,1-dioxide Openeye Name: 3,3-dimethyl-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1,2-benzothiazole 1,1-dioxide CAS Name: 3,3-dimethyl-2-[3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]-1,2-benzothiazole 1,1-dioxide IUPAC Name: 3,3-dimethyl-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1,2-benzothiazole 1,1-dioxide Traditional Name: 3,3-dimethyl-2-[3-[4-(2-pyrimidyl)piperazino]propyl]-1,2-benzothiazole 1,1-dioxide Formula: C20H27N5O2S MolecularWeight: 401.52568

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2S(=O)(=O)N1CCCN3CCN(CC3)C4=NC=CC=N4)C

Isomeric SMILES

CC1(C2=CC=CC=C2S(=O)(=O)N1CCCN3CCN(CC3)C4=NC=CC=N4)C

InChI

InChI=1S/C20H27N5O2S/c1-20(2)17-7-3-4-8-18(17)28(26,27)25(20)12-6-11-23-13-15-24(16-14-23)19-21-9-5-10-22-19/h3-5,7-10H,6,11-16H2,1-2H3