1-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-4-thiophen-2-yl-butan-1-one

Systemtic Name: 1-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-4-thiophen-2-yl-butan-1-one Openeye Name: 1-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-4-(2-thienyl)butan-1-one CAS Name: 1-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1-piperazinyl]-4-thiophen-2-yl-1-butanone IUPAC Name: 1-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-4-thiophen-2-ylbutan-1-one Traditional Name: 1-(4-piazthiol-4-ylsulfonylpiperazino)-4-(2-thienyl)butan-1-one Formula: C18H20N4O3S3 MolecularWeight: 436.5714

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCCC2=CC=CS2)S(=O)(=O)C3=CC=CC4=NSN=C43

Isomeric SMILES

C1CN(CCN1C(=O)CCCC2=CC=CS2)S(=O)(=O)C3=CC=CC4=NSN=C43

InChI

InChI=1S/C18H20N4O3S3/c23-17(8-1-4-14-5-3-13-26-14)21-9-11-22(12-10-21)28(24,25)16-7-2-6-15-18(16)20-27-19-15/h2-3,5-7,13H,1,4,8-12H2