1-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-2-(2,5-dimethylphenoxy)ethanone

Systemtic Name: 1-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-2-(2,5-dimethylphenoxy)ethanone Openeye Name: 1-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-2-(2,5-dimethylphenoxy)ethanone CAS Name: 1-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1-piperazinyl]-2-(2,5-dimethylphenoxy)ethanone IUPAC Name: 1-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-2-(2,5-dimethylphenoxy)ethanone Traditional Name: 2-(2,5-dimethylphenoxy)-1-(4-piazthiol-4-ylsulfonylpiperazino)ethanone Formula: C20H22N4O4S2 MolecularWeight: 446.54308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43

Isomeric SMILES

CC1=CC(=C(C=C1)C)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43

InChI

InChI=1S/C20H22N4O4S2/c1-14-6-7-15(2)17(12-14)28-13-19(25)23-8-10-24(11-9-23)30(26,27)18-5-3-4-16-20(18)22-29-21-16/h3-7,12H,8-11,13H2,1-2H3