2-methylsulfonyl-N-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-yl)benzamide

Systemtic Name: 2-methylsulfonyl-N-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-yl)benzamide Openeye Name: 2-methylsulfonyl-N-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-yl)benzamide CAS Name: 2-methylsulfonyl-N-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-yl)benzamide IUPAC Name: 2-methylsulfonyl-N-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-yl)benzamide Traditional Name: 2-mesyl-N-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-yl)benzamide Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1C(=O)NC2=CC3=C(C=C2)N4CCCCCC4=N3

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1C(=O)NC2=CC3=C(C=C2)N4CCCCCC4=N3

InChI

InChI=1S/C20H21N3O3S/c1-27(25,26)18-8-5-4-7-15(18)20(24)21-14-10-11-17-16(13-14)22-19-9-3-2-6-12-23(17)19/h4-5,7-8,10-11,13H,2-3,6,9,12H2,1H3,(H,21,24)