2-[[4-(5-piperidin-1-ylsulfonylpyridin-2-yl)piperazin-1-yl]methyl]-1,3-benzothiazole

Systemtic Name: 2-[[4-(5-piperidin-1-ylsulfonylpyridin-2-yl)piperazin-1-yl]methyl]-1,3-benzothiazole Openeye Name: 2-[[4-[5-(1-piperidylsulfonyl)-2-pyridyl]piperazin-1-yl]methyl]-1,3-benzothiazole CAS Name: 2-[[4-[5-(1-piperidinylsulfonyl)-2-pyridinyl]-1-piperazinyl]methyl]-1,3-benzothiazole IUPAC Name: 2-[[4-(5-piperidin-1-ylsulfonylpyridin-2-yl)piperazin-1-yl]methyl]-1,3-benzothiazole Traditional Name: 2-[[4-(5-piperidinosulfonyl-2-pyridyl)piperazino]methyl]-1,3-benzothiazole Formula: C22H27N5O2S2 MolecularWeight: 457.61208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)N3CCN(CC3)CC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)N3CCN(CC3)CC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H27N5O2S2/c28-31(29,27-10-4-1-5-11-27)18-8-9-21(23-16-18)26-14-12-25(13-15-26)17-22-24-19-6-2-3-7-20(19)30-22/h2-3,6-9,16H,1,4-5,10-15,17H2