ethyl 2-(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)sulfanylethanoate

Systemtic Name: ethyl 2-(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)sulfanylethanoate Openeye Name: ethyl 2-[1-ethyl-5-(1-piperidylsulfonyl)benzimidazol-2-yl]sulfanylacetate CAS Name: 2-[[1-ethyl-5-(1-piperidinylsulfonyl)-2-benzimidazolyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)sulfanylacetate Traditional Name: 2-[(1-ethyl-5-piperidinosulfonyl-benzimidazol-2-yl)thio]acetic acid ethyl ester Formula: C18H25N3O4S2 MolecularWeight: 411.5388

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1SCC(=O)OCC

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1SCC(=O)OCC

InChI

InChI=1S/C18H25N3O4S2/c1-3-21-16-9-8-14(27(23,24)20-10-6-5-7-11-20)12-15(16)19-18(21)26-13-17(22)25-4-2/h8-9,12H,3-7,10-11,13H2,1-2H3