ethyl 1-[(1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl]piperidine-4-carboxylate CAS Name: 1-[(1-butyl-5-sulfamoyl-2-benzimidazolyl)methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(1-butyl-5-sulfamoylbenzimidazol-2-yl)methyl]piperidine-4-carboxylate Traditional Name: 1-[(1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl]isonipecotic acid ethyl ester Formula: C20H30N4O4S MolecularWeight: 422.5416

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CN3CCC(CC3)C(=O)OCC

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CN3CCC(CC3)C(=O)OCC

InChI

InChI=1S/C20H30N4O4S/c1-3-5-10-24-18-7-6-16(29(21,26)27)13-17(18)22-19(24)14-23-11-8-15(9-12-23)20(25)28-4-2/h6-7,13,15H,3-5,8-12,14H2,1-2H3,(H2,21,26,27)