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

Systemtic Name: 1-[4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-nitrophenyl)ethanone Openeye Name: 1-[4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-nitrophenyl)ethanone CAS Name: 1-[4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-2-(4-nitrophenyl)ethanone IUPAC Name: 1-[4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-nitrophenyl)ethanone Traditional Name: 1-[4-(6-mesyl-1,3-benzothiazol-2-yl)piperazino]-2-(4-nitrophenyl)ethanone Formula: C20H20N4O5S2 MolecularWeight: 460.5266

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)CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)N3CCN(CC3)C(=O)CC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O5S2/c1-31(28,29)16-6-7-17-18(13-16)30-20(21-17)23-10-8-22(9-11-23)19(25)12-14-2-4-15(5-3-14)24(26)27/h2-7,13H,8-12H2,1H3