1-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-4-methyl-pentan-1-one

Systemtic Name: 1-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-4-methyl-pentan-1-one Openeye Name: 1-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-4-methyl-pentan-1-one CAS Name: 1-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1-piperazinyl]-4-methyl-1-pentanone IUPAC Name: 1-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-4-methylpentan-1-one Traditional Name: 4-methyl-1-(4-piazthiol-4-ylsulfonylpiperazino)pentan-1-one Formula: C16H22N4O3S2 MolecularWeight: 382.50088

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC3=NSN=C32

Isomeric SMILES

CC(C)CCC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC3=NSN=C32

InChI

InChI=1S/C16H22N4O3S2/c1-12(2)6-7-15(21)19-8-10-20(11-9-19)25(22,23)14-5-3-4-13-16(14)18-24-17-13/h3-5,12H,6-11H2,1-2H3