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

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(1-methylimidazol-2-yl)sulfanyl-ethanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(1-methylimidazol-2-yl)sulfanyl-acetamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-2-[(1-methyl-2-imidazolyl)thio]acetamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-[(1-methylimidazol-2-yl)thio]acetamide Formula: C19H26N4O4S2 MolecularWeight: 438.56414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N4O4S2/c1-22-12-9-20-19(22)28-14-18(24)21-16-13-15(7-8-17(16)27-2)29(25,26)23-10-5-3-4-6-11-23/h7-9,12-13H,3-6,10-11,14H2,1-2H3,(H,21,24)