4-[4-(2-fluoranyl-5-methyl-phenyl)sulfonylpiperazin-1-yl]sulfonyl-2,1,3-benzothiadiazole

Systemtic Name: 4-[4-(2-fluoranyl-5-methyl-phenyl)sulfonylpiperazin-1-yl]sulfonyl-2,1,3-benzothiadiazole Openeye Name: 4-[4-(2-fluoro-5-methyl-phenyl)sulfonylpiperazin-1-yl]sulfonyl-2,1,3-benzothiadiazole CAS Name: 4-[[4-(2-fluoro-5-methylphenyl)sulfonyl-1-piperazinyl]sulfonyl]-2,1,3-benzothiadiazole IUPAC Name: 4-[4-(2-fluoro-5-methylphenyl)sulfonylpiperazin-1-yl]sulfonyl-2,1,3-benzothiadiazole Traditional Name: 4-[4-(2-fluoro-5-methyl-phenyl)sulfonylpiperazino]sulfonylpiazthiole Formula: C17H17FN4O4S3 MolecularWeight: 456.534683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)F)S(=O)(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43

Isomeric SMILES

CC1=CC(=C(C=C1)F)S(=O)(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43

InChI

InChI=1S/C17H17FN4O4S3/c1-12-5-6-13(18)16(11-12)29(25,26)22-9-7-21(8-10-22)28(23,24)15-4-2-3-14-17(15)20-27-19-14/h2-6,11H,7-10H2,1H3