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

Systemtic Name: ethyl 4-[2-(1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)sulfanylethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-(1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)sulfanylacetyl]piperazine-1-carboxylate CAS Name: 4-[2-[[1-ethyl-5-(4-morpholinylsulfonyl)-2-benzimidazolyl]thio]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)sulfanylacetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)thio]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C22H31N5O6S2 MolecularWeight: 525.64144

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1SCC(=O)N4CCN(CC4)C(=O)OCC

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1SCC(=O)N4CCN(CC4)C(=O)OCC

InChI

InChI=1S/C22H31N5O6S2/c1-3-27-19-6-5-17(35(30,31)26-11-13-32-14-12-26)15-18(19)23-21(27)34-16-20(28)24-7-9-25(10-8-24)22(29)33-4-2/h5-6,15H,3-4,7-14,16H2,1-2H3