(2-iodanylphenyl)-[4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone

Systemtic Name: (2-iodanylphenyl)-[4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Openeye Name: (2-iodophenyl)-[4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone CAS Name: (2-iodophenyl)-[4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-piperazinyl]methanone IUPAC Name: (2-iodophenyl)-[4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Traditional Name: (2-iodophenyl)-[4-(6-mesyl-1,3-benzothiazol-2-yl)piperazino]methanone Formula: C19H18IN3O3S2 MolecularWeight: 527.39899

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)C4=CC=CC=C4I

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)N3CCN(CC3)C(=O)C4=CC=CC=C4I

InChI

InChI=1S/C19H18IN3O3S2/c1-28(25,26)13-6-7-16-17(12-13)27-19(21-16)23-10-8-22(9-11-23)18(24)14-4-2-3-5-15(14)20/h2-7,12H,8-11H2,1H3