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

Systemtic Name: 2-ethylsulfonyl-N-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-yl)benzamide Openeye Name: 2-ethylsulfonyl-N-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-yl)benzamide CAS Name: 2-ethylsulfonyl-N-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-yl)benzamide IUPAC Name: 2-ethylsulfonyl-N-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-yl)benzamide Traditional Name: 2-esyl-N-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-yl)benzamide Formula: C21H23N3O3S MolecularWeight: 397.49062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O3S/c1-2-28(26,27)19-9-6-5-8-16(19)21(25)22-15-11-12-18-17(14-15)23-20-10-4-3-7-13-24(18)20/h5-6,8-9,11-12,14H,2-4,7,10,13H2,1H3,(H,22,25)