2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-(4-fluorophenyl)butanamide

Systemtic Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-(4-fluorophenyl)butanamide Openeye Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]sulfanyl]-N-(4-fluorophenyl)butanamide CAS Name: 2-[[5-(1-azepanylsulfonyl)-2-pyridinyl]thio]-N-(4-fluorophenyl)butanamide IUPAC Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-(4-fluorophenyl)butanamide Traditional Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]thio]-N-(4-fluorophenyl)butyramide Formula: C21H26FN3O3S2 MolecularWeight: 451.577843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)F)SC2=NC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)F)SC2=NC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C21H26FN3O3S2/c1-2-19(21(26)24-17-9-7-16(22)8-10-17)29-20-12-11-18(15-23-20)30(27,28)25-13-5-3-4-6-14-25/h7-12,15,19H,2-6,13-14H2,1H3,(H,24,26)