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

Systemtic Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-(2-cyanoethyl)-N-(4-fluorophenyl)ethanamide Openeye Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]sulfanyl]-N-(2-cyanoethyl)-N-(4-fluorophenyl)acetamide CAS Name: 2-[[5-(1-azepanylsulfonyl)-2-pyridinyl]thio]-N-(2-cyanoethyl)-N-(4-fluorophenyl)acetamide IUPAC Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-(2-cyanoethyl)-N-(4-fluorophenyl)acetamide Traditional Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]thio]-N-(2-cyanoethyl)-N-(4-fluorophenyl)acetamide Formula: C22H25FN4O3S2 MolecularWeight: 476.587303

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)N(CCC#N)C3=CC=C(C=C3)F

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)N(CCC#N)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H25FN4O3S2/c23-18-6-8-19(9-7-18)27(15-5-12-24)22(28)17-31-21-11-10-20(16-25-21)32(29,30)26-13-3-1-2-4-14-26/h6-11,16H,1-5,13-15,17H2