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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43

Isomeric SMILES

CCC1=CC(=CC=C1)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43

InChI

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