2-(benzotriazol-1-yl)-1-[4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone

Systemtic Name: 2-(benzotriazol-1-yl)-1-[4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone Openeye Name: 2-(benzotriazol-1-yl)-1-[4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone CAS Name: 2-(1-benzotriazolyl)-1-[4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-piperazinyl]ethanone IUPAC Name: 2-(benzotriazol-1-yl)-1-[4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone Traditional Name: 2-(benzotriazol-1-yl)-1-[4-(6-mesyl-1,3-benzothiazol-2-yl)piperazino]ethanone Formula: C20H20N6O3S2 MolecularWeight: 456.5412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)N3CCN(CC3)C(=O)CN4C5=CC=CC=C5N=N4

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)N3CCN(CC3)C(=O)CN4C5=CC=CC=C5N=N4

InChI

InChI=1S/C20H20N6O3S2/c1-31(28,29)14-6-7-16-18(12-14)30-20(21-16)25-10-8-24(9-11-25)19(27)13-26-17-5-3-2-4-15(17)22-23-26/h2-7,12H,8-11,13H2,1H3