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

Systemtic Name: 4-[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-1-yl]sulfonyl-2,1,3-benzothiadiazole Openeye Name: 4-[4-[(5-fluoro-2-methoxy-phenyl)methyl]piperazin-1-yl]sulfonyl-2,1,3-benzothiadiazole CAS Name: 4-[[4-[(5-fluoro-2-methoxyphenyl)methyl]-1-piperazinyl]sulfonyl]-2,1,3-benzothiadiazole IUPAC Name: 4-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]sulfonyl-2,1,3-benzothiadiazole Traditional Name: 4-[4-(5-fluoro-2-methoxy-benzyl)piperazino]sulfonylpiazthiole Formula: C18H19FN4O3S2 MolecularWeight: 422.496863

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)F)CN2CCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43

Isomeric SMILES

COC1=C(C=C(C=C1)F)CN2CCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43

InChI

InChI=1S/C18H19FN4O3S2/c1-26-16-6-5-14(19)11-13(16)12-22-7-9-23(10-8-22)28(24,25)17-4-2-3-15-18(17)21-27-20-15/h2-6,11H,7-10,12H2,1H3