1-[6-[(4-fluorophenyl)methylsulfanyl]pyridin-3-yl]sulfonylazepane

Systemtic Name: 1-[6-[(4-fluorophenyl)methylsulfanyl]pyridin-3-yl]sulfonylazepane Openeye Name: 1-[[6-[(4-fluorophenyl)methylsulfanyl]-3-pyridyl]sulfonyl]azepane CAS Name: 1-[[6-[(4-fluorophenyl)methylthio]-3-pyridinyl]sulfonyl]azepane IUPAC Name: 1-[6-[(4-fluorophenyl)methylsulfanyl]pyridin-3-yl]sulfonylazepane Traditional Name: 1-[[6-[(4-fluorobenzyl)thio]-3-pyridyl]sulfonyl]azepane Formula: C18H21FN2O2S2 MolecularWeight: 380.499943

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC3=CC=C(C=C3)F

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC3=CC=C(C=C3)F

InChI

InChI=1S/C18H21FN2O2S2/c19-16-7-5-15(6-8-16)14-24-18-10-9-17(13-20-18)25(22,23)21-11-3-1-2-4-12-21/h5-10,13H,1-4,11-12,14H2