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

Systemtic Name: 3,3-dimethyl-2-[3-(4-quinolin-2-ylpiperazin-1-yl)propyl]-1,2-benzothiazole 1,1-dioxide Openeye Name: 3,3-dimethyl-2-[3-[4-(2-quinolyl)piperazin-1-yl]propyl]-1,2-benzothiazole 1,1-dioxide CAS Name: 3,3-dimethyl-2-[3-[4-(2-quinolinyl)-1-piperazinyl]propyl]-1,2-benzothiazole 1,1-dioxide IUPAC Name: 3,3-dimethyl-2-[3-(4-quinolin-2-ylpiperazin-1-yl)propyl]-1,2-benzothiazole 1,1-dioxide Traditional Name: 3,3-dimethyl-2-[3-[4-(2-quinolyl)piperazino]propyl]-1,2-benzothiazole 1,1-dioxide Formula: C25H30N4O2S MolecularWeight: 450.5963

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2S(=O)(=O)N1CCCN3CCN(CC3)C4=NC5=CC=CC=C5C=C4)C

Isomeric SMILES

CC1(C2=CC=CC=C2S(=O)(=O)N1CCCN3CCN(CC3)C4=NC5=CC=CC=C5C=C4)C

InChI

InChI=1S/C25H30N4O2S/c1-25(2)21-9-4-6-11-23(21)32(30,31)29(25)15-7-14-27-16-18-28(19-17-27)24-13-12-20-8-3-5-10-22(20)26-24/h3-6,8-13H,7,14-19H2,1-2H3