ethyl 4-[2-(1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)sulfanylethanoylamino]butanoate

Systemtic Name: ethyl 4-[2-(1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)sulfanylethanoylamino]butanoate Openeye Name: ethyl 4-[[2-(1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)sulfanylacetyl]amino]butanoate CAS Name: 4-[[2-[[1-ethyl-5-(4-morpholinylsulfonyl)-2-benzimidazolyl]thio]-1-oxoethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)sulfanylacetyl]amino]butanoate Traditional Name: 4-[[2-[(1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)thio]acetyl]amino]butyric acid ethyl ester Formula: C21H30N4O6S2 MolecularWeight: 498.6161

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N4O6S2/c1-3-25-18-8-7-16(33(28,29)24-10-12-30-13-11-24)14-17(18)23-21(25)32-15-19(26)22-9-5-6-20(27)31-4-2/h7-8,14H,3-6,9-13,15H2,1-2H3,(H,22,26)