ethyl 1-[2-(1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)sulfanylethanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-(1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)sulfanylethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-(1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)sulfanylacetyl]piperidine-4-carboxylate CAS Name: 1-[2-[[1-ethyl-5-(4-morpholinylsulfonyl)-2-benzimidazolyl]thio]-1-oxoethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)sulfanylacetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)thio]acetyl]isonipecotic acid ethyl ester Formula: C23H32N4O6S2 MolecularWeight: 524.65338

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1SCC(=O)N4CCC(CC4)C(=O)OCC

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1SCC(=O)N4CCC(CC4)C(=O)OCC

InChI

InChI=1S/C23H32N4O6S2/c1-3-27-20-6-5-18(35(30,31)26-11-13-32-14-12-26)15-19(20)24-23(27)34-16-21(28)25-9-7-17(8-10-25)22(29)33-4-2/h5-6,15,17H,3-4,7-14,16H2,1-2H3