1-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-2-(3,4-dimethoxyphenyl)ethanone

Systemtic Name: 1-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-2-(3,4-dimethoxyphenyl)ethanone Openeye Name: 1-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-2-(3,4-dimethoxyphenyl)ethanone CAS Name: 1-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1-piperazinyl]-2-(3,4-dimethoxyphenyl)ethanone IUPAC Name: 1-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-2-(3,4-dimethoxyphenyl)ethanone Traditional Name: 2-(3,4-dimethoxyphenyl)-1-(4-piazthiol-4-ylsulfonylpiperazino)ethanone Formula: C20H22N4O5S2 MolecularWeight: 462.54248

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43)OC

InChI

InChI=1S/C20H22N4O5S2/c1-28-16-7-6-14(12-17(16)29-2)13-19(25)23-8-10-24(11-9-23)31(26,27)18-5-3-4-15-20(18)22-30-21-15/h3-7,12H,8-11,13H2,1-2H3