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

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(1-methylbenzimidazol-2-yl)sulfanyl-ethanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(1-methylbenzimidazol-2-yl)sulfanyl-acetamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-2-[(1-methyl-2-benzimidazolyl)thio]acetamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-[(1-methylbenzimidazol-2-yl)thio]acetamide Formula: C23H28N4O4S2 MolecularWeight: 488.62282

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1SCC(=O)NC3=C(C=CC(=C3)S(=O)(=O)N4CCCCCC4)OC

Isomeric SMILES

CN1C2=CC=CC=C2N=C1SCC(=O)NC3=C(C=CC(=C3)S(=O)(=O)N4CCCCCC4)OC

InChI

InChI=1S/C23H28N4O4S2/c1-26-20-10-6-5-9-18(20)25-23(26)32-16-22(28)24-19-15-17(11-12-21(19)31-2)33(29,30)27-13-7-3-4-8-14-27/h5-6,9-12,15H,3-4,7-8,13-14,16H2,1-2H3,(H,24,28)