3-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-(3-fluorophenyl)propanamide

Systemtic Name: 3-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-(3-fluorophenyl)propanamide Openeye Name: 3-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]sulfanyl]-N-(3-fluorophenyl)propanamide CAS Name: 3-[[5-(1-azepanylsulfonyl)-2-pyridinyl]thio]-N-(3-fluorophenyl)propanamide IUPAC Name: 3-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-(3-fluorophenyl)propanamide Traditional Name: 3-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]thio]-N-(3-fluorophenyl)propionamide Formula: C20H24FN3O3S2 MolecularWeight: 437.551263

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCCC(=O)NC3=CC(=CC=C3)F

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCCC(=O)NC3=CC(=CC=C3)F

InChI

InChI=1S/C20H24FN3O3S2/c21-16-6-5-7-17(14-16)23-19(25)10-13-28-20-9-8-18(15-22-20)29(26,27)24-11-3-1-2-4-12-24/h5-9,14-15H,1-4,10-13H2,(H,23,25)