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

Systemtic Name: 1-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone Openeye Name: 1-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone CAS Name: 1-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1-piperazinyl]-2-(3,5-dimethyl-1-pyrazolyl)ethanone IUPAC Name: 1-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone Traditional Name: 2-(3,5-dimethylpyrazol-1-yl)-1-(4-piazthiol-4-ylsulfonylpiperazino)ethanone Formula: C17H20N6O3S2 MolecularWeight: 420.5091

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43)C

Isomeric SMILES

CC1=CC(=NN1CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43)C

InChI

InChI=1S/C17H20N6O3S2/c1-12-10-13(2)23(18-12)11-16(24)21-6-8-22(9-7-21)28(25,26)15-5-3-4-14-17(15)20-27-19-14/h3-5,10H,6-9,11H2,1-2H3