N-[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]-2-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]-2-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanyl-ethanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]-2-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanyl]acetamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-chlorophenyl]-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]acetamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-chlorophenyl]-2-(3-cyano-4,6-dimethylpyridin-2-yl)sulfanylacetamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]-2-[(3-cyano-4,6-dimethyl-2-pyridyl)thio]acetamide Formula: C22H25ClN4O3S2 MolecularWeight: 493.0419

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)Cl)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)Cl)C

InChI

InChI=1S/C22H25ClN4O3S2/c1-15-11-16(2)25-22(18(15)13-24)31-14-21(28)26-20-12-17(7-8-19(20)23)32(29,30)27-9-5-3-4-6-10-27/h7-8,11-12H,3-6,9-10,14H2,1-2H3,(H,26,28)