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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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