N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]ethanamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]ethanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-[2-[(methylthio)methyl]-1-benzimidazolyl]acetamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[2-[(methylthio)methyl]benzimidazol-1-yl]acetamide Formula: C23H28N4O3S2 MolecularWeight: 472.62342

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1=NC2=CC=CC=C2N1CC(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CSCC1=NC2=CC=CC=C2N1CC(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C23H28N4O3S2/c1-31-17-22-25-20-8-4-5-9-21(20)27(22)16-23(28)24-18-10-12-19(13-11-18)32(29,30)26-14-6-2-3-7-15-26/h4-5,8-13H,2-3,6-7,14-17H2,1H3,(H,24,28)