5-methoxycarbonyl-4-methyl-2-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-ylsulfamoyl)thiophene-3-carboxylic acid

Systemtic Name: 5-methoxycarbonyl-4-methyl-2-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-ylsulfamoyl)thiophene-3-carboxylic acid Openeye Name: 5-methoxycarbonyl-4-methyl-2-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-ylsulfamoyl)thiophene-3-carboxylic acid CAS Name: 5-methoxycarbonyl-4-methyl-2-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-ylsulfamoyl)-3-thiophenecarboxylic acid IUPAC Name: 5-methoxycarbonyl-4-methyl-2-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-ylsulfamoyl)thiophene-3-carboxylic acid Traditional Name: 5-carbomethoxy-4-methyl-2-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-ylsulfamoyl)-3-thenoic acid Formula: C20H21N3O6S2 MolecularWeight: 463.52724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)O)S(=O)(=O)NC2=CC3=C(C=C2)N4CCCCCC4=N3)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)O)S(=O)(=O)NC2=CC3=C(C=C2)N4CCCCCC4=N3)C(=O)OC

InChI

InChI=1S/C20H21N3O6S2/c1-11-16(18(24)25)20(30-17(11)19(26)29-2)31(27,28)22-12-7-8-14-13(10-12)21-15-6-4-3-5-9-23(14)15/h7-8,10,22H,3-6,9H2,1-2H3,(H,24,25)