ethyl 4-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-ylsulfamoyl)benzoate

Systemtic Name: ethyl 4-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-ylsulfamoyl)benzoate Openeye Name: ethyl 4-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-ylsulfamoyl)benzoate CAS Name: 4-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-ylsulfamoyl)benzoic acid ethyl ester IUPAC Name: ethyl 4-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-ylsulfamoyl)benzoate Traditional Name: 4-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-ylsulfamoyl)benzoic acid ethyl ester Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)N4CCCCCC4=N3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)N4CCCCCC4=N3

InChI

InChI=1S/C21H23N3O4S/c1-2-28-21(25)15-7-10-17(11-8-15)29(26,27)23-16-9-12-19-18(14-16)22-20-6-4-3-5-13-24(19)20/h7-12,14,23H,2-6,13H2,1H3