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

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]-2-(1-methylbenzimidazol-2-yl)sulfanyl-ethanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]-2-(1-methylbenzimidazol-2-yl)sulfanyl-acetamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-chlorophenyl]-2-[(1-methyl-2-benzimidazolyl)thio]acetamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-chlorophenyl]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]-2-[(1-methylbenzimidazol-2-yl)thio]acetamide Formula: C22H25ClN4O3S2 MolecularWeight: 493.0419

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H25ClN4O3S2/c1-26-20-9-5-4-8-18(20)25-22(26)31-15-21(28)24-19-14-16(10-11-17(19)23)32(29,30)27-12-6-2-3-7-13-27/h4-5,8-11,14H,2-3,6-7,12-13,15H2,1H3,(H,24,28)