N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(1-methylimidazol-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(1-methylimidazol-2-yl)sulfanyl-ethanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(1-methylimidazol-2-yl)sulfanyl-acetamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-2-[(1-methyl-2-imidazolyl)thio]acetamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-[(1-methylimidazol-2-yl)thio]acetamide Formula: C18H24N4O3S2 MolecularWeight: 408.53816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N4O3S2/c1-21-12-9-19-18(21)26-14-17(23)20-15-7-6-8-16(13-15)27(24,25)22-10-4-2-3-5-11-22/h6-9,12-13H,2-5,10-11,14H2,1H3,(H,20,23)