N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(1-methylbenzimidazol-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(1-methylbenzimidazol-2-yl)sulfanyl-ethanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(1-methylbenzimidazol-2-yl)sulfanyl-acetamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-[(1-methyl-2-benzimidazolyl)thio]acetamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(1-methylbenzimidazol-2-yl)thio]acetamide Formula: C22H26N4O3S2 MolecularWeight: 458.59684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O3S2/c1-25-20-9-5-4-8-19(20)24-22(25)30-16-21(27)23-17-10-12-18(13-11-17)31(28,29)26-14-6-2-3-7-15-26/h4-5,8-13H,2-3,6-7,14-16H2,1H3,(H,23,27)