4-[2-(3-fluorophenyl)azepan-1-yl]sulfonyl-2,1,3-benzothiadiazole

Systemtic Name: 4-[2-(3-fluorophenyl)azepan-1-yl]sulfonyl-2,1,3-benzothiadiazole Openeye Name: 4-[2-(3-fluorophenyl)azepan-1-yl]sulfonyl-2,1,3-benzothiadiazole CAS Name: 4-[[2-(3-fluorophenyl)-1-azepanyl]sulfonyl]-2,1,3-benzothiadiazole IUPAC Name: 4-[2-(3-fluorophenyl)azepan-1-yl]sulfonyl-2,1,3-benzothiadiazole Traditional Name: 4-[2-(3-fluorophenyl)azepan-1-yl]sulfonylpiazthiole Formula: C18H18FN3O2S2 MolecularWeight: 391.482823

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(N(CC1)S(=O)(=O)C2=CC=CC3=NSN=C32)C4=CC(=CC=C4)F

Isomeric SMILES

C1CCC(N(CC1)S(=O)(=O)C2=CC=CC3=NSN=C32)C4=CC(=CC=C4)F

InChI

InChI=1S/C18H18FN3O2S2/c19-14-7-4-6-13(12-14)16-9-2-1-3-11-22(16)26(23,24)17-10-5-8-15-18(17)21-25-20-15/h4-8,10,12,16H,1-3,9,11H2