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

Systemtic Name: ethyl 1-[2-(1-ethyl-5-sulfamoyl-benzimidazol-2-yl)sulfanylpropanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-(1-ethyl-5-sulfamoyl-benzimidazol-2-yl)sulfanylpropanoyl]piperidine-4-carboxylate CAS Name: 1-[2-[(1-ethyl-5-sulfamoyl-2-benzimidazolyl)thio]-1-oxopropyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(1-ethyl-5-sulfamoylbenzimidazol-2-yl)sulfanylpropanoyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(1-ethyl-5-sulfamoyl-benzimidazol-2-yl)thio]propanoyl]isonipecotic acid ethyl ester Formula: C20H28N4O5S2 MolecularWeight: 468.59012

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SC(C)C(=O)N3CCC(CC3)C(=O)OCC

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SC(C)C(=O)N3CCC(CC3)C(=O)OCC

InChI

InChI=1S/C20H28N4O5S2/c1-4-24-17-7-6-15(31(21,27)28)12-16(17)22-20(24)30-13(3)18(25)23-10-8-14(9-11-23)19(26)29-5-2/h6-7,12-14H,4-5,8-11H2,1-3H3,(H2,21,27,28)