1-[2-[5-(diethylsulfamoyl)-1-ethyl-benzimidazol-2-yl]sulfanylethanoyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[2-[5-(diethylsulfamoyl)-1-ethyl-benzimidazol-2-yl]sulfanylethanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-[5-(diethylsulfamoyl)-1-ethyl-benzimidazol-2-yl]sulfanylacetyl]piperidine-4-carboxylic acid CAS Name: 1-[2-[[5-(diethylsulfamoyl)-1-ethyl-2-benzimidazolyl]thio]-1-oxoethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]sulfanylacetyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-[[5-(diethylsulfamoyl)-1-ethyl-benzimidazol-2-yl]thio]acetyl]isonipecotic acid Formula: C21H30N4O5S2 MolecularWeight: 482.6167

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N(CC)CC)N=C1SCC(=O)N3CCC(CC3)C(=O)O

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N(CC)CC)N=C1SCC(=O)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C21H30N4O5S2/c1-4-24(5-2)32(29,30)16-7-8-18-17(13-16)22-21(25(18)6-3)31-14-19(26)23-11-9-15(10-12-23)20(27)28/h7-8,13,15H,4-6,9-12,14H2,1-3H3,(H,27,28)