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

Systemtic Name: 4-[4-(3-fluoranyl-4-methoxy-phenyl)sulfonylpiperazin-1-yl]sulfonyl-2,1,3-benzothiadiazole Openeye Name: 4-[4-(3-fluoro-4-methoxy-phenyl)sulfonylpiperazin-1-yl]sulfonyl-2,1,3-benzothiadiazole CAS Name: 4-[[4-(3-fluoro-4-methoxyphenyl)sulfonyl-1-piperazinyl]sulfonyl]-2,1,3-benzothiadiazole IUPAC Name: 4-[4-(3-fluoro-4-methoxyphenyl)sulfonylpiperazin-1-yl]sulfonyl-2,1,3-benzothiadiazole Traditional Name: 4-[4-(3-fluoro-4-methoxy-phenyl)sulfonylpiperazino]sulfonylpiazthiole Formula: C17H17FN4O5S3 MolecularWeight: 472.534083

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43)F

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43)F

InChI

InChI=1S/C17H17FN4O5S3/c1-27-15-6-5-12(11-13(15)18)29(23,24)21-7-9-22(10-8-21)30(25,26)16-4-2-3-14-17(16)20-28-19-14/h2-6,11H,7-10H2,1H3