N-[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]-2-(1-methylimidazol-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]-2-(1-methylimidazol-2-yl)sulfanyl-ethanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]-2-(1-methylimidazol-2-yl)sulfanyl-acetamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-chlorophenyl]-2-[(1-methyl-2-imidazolyl)thio]acetamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-chlorophenyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]-2-[(1-methylimidazol-2-yl)thio]acetamide Formula: C18H23ClN4O3S2 MolecularWeight: 442.98322

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)Cl

Isomeric SMILES

CN1C=CN=C1SCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)Cl

InChI

InChI=1S/C18H23ClN4O3S2/c1-22-11-8-20-18(22)27-13-17(24)21-16-12-14(6-7-15(16)19)28(25,26)23-9-4-2-3-5-10-23/h6-8,11-12H,2-5,9-10,13H2,1H3,(H,21,24)