1-[4-(4,7-dimethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(phenylmethyl)sulfonyl-ethanone

Systemtic Name: 1-[4-(4,7-dimethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(phenylmethyl)sulfonyl-ethanone Openeye Name: 2-benzylsulfonyl-1-[4-(4,7-dimethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone CAS Name: 1-[4-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-1-piperazinyl]-2-(phenylmethyl)sulfonylethanone IUPAC Name: 2-benzylsulfonyl-1-[4-(4,7-dimethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone Traditional Name: 2-benzylsulfonyl-1-[4-(4,7-dimethoxy-1,3-benzothiazol-2-yl)piperazino]ethanone Formula: C22H25N3O5S2 MolecularWeight: 475.581

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)OC)SC(=N2)N3CCN(CC3)C(=O)CS(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

COC1=C2C(=C(C=C1)OC)SC(=N2)N3CCN(CC3)C(=O)CS(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C22H25N3O5S2/c1-29-17-8-9-18(30-2)21-20(17)23-22(31-21)25-12-10-24(11-13-25)19(26)15-32(27,28)14-16-6-4-3-5-7-16/h3-9H,10-15H2,1-2H3