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

Systemtic Name: 1-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-3-thiophen-3-yl-propan-1-one Openeye Name: 1-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-3-(3-thienyl)propan-1-one CAS Name: 1-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1-piperazinyl]-3-(3-thiophenyl)-1-propanone IUPAC Name: 1-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-3-thiophen-3-ylpropan-1-one Traditional Name: 1-(4-piazthiol-4-ylsulfonylpiperazino)-3-(3-thienyl)propan-1-one Formula: C17H18N4O3S3 MolecularWeight: 422.54482

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCC2=CSC=C2)S(=O)(=O)C3=CC=CC4=NSN=C43

Isomeric SMILES

C1CN(CCN1C(=O)CCC2=CSC=C2)S(=O)(=O)C3=CC=CC4=NSN=C43

InChI

InChI=1S/C17H18N4O3S3/c22-16(5-4-13-6-11-25-12-13)20-7-9-21(10-8-20)27(23,24)15-3-1-2-14-17(15)19-26-18-14/h1-3,6,11-12H,4-5,7-10H2