N-[3-(azepan-1-ylsulfonyl)phenyl]-2-[2-(hydroxymethyl)benzimidazol-1-yl]ethanamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-[2-(hydroxymethyl)benzimidazol-1-yl]ethanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-2-[2-(hydroxymethyl)-1-benzimidazolyl]acetamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(2-methylolbenzimidazol-1-yl)acetamide Formula: C22H26N4O4S MolecularWeight: 442.53124

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CN3C4=CC=CC=C4N=C3CO

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CN3C4=CC=CC=C4N=C3CO

InChI

InChI=1S/C22H26N4O4S/c27-16-21-24-19-10-3-4-11-20(19)26(21)15-22(28)23-17-8-7-9-18(14-17)31(29,30)25-12-5-1-2-6-13-25/h3-4,7-11,14,27H,1-2,5-6,12-13,15-16H2,(H,23,28)