ethyl 4-[2-(1-butyl-5-sulfamoyl-benzimidazol-2-yl)sulfanylethanoylamino]butanoate

Systemtic Name: ethyl 4-[2-(1-butyl-5-sulfamoyl-benzimidazol-2-yl)sulfanylethanoylamino]butanoate Openeye Name: ethyl 4-[[2-(1-butyl-5-sulfamoyl-benzimidazol-2-yl)sulfanylacetyl]amino]butanoate CAS Name: 4-[[2-[(1-butyl-5-sulfamoyl-2-benzimidazolyl)thio]-1-oxoethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanylacetyl]amino]butanoate Traditional Name: 4-[[2-[(1-butyl-5-sulfamoyl-benzimidazol-2-yl)thio]acetyl]amino]butyric acid ethyl ester Formula: C19H28N4O5S2 MolecularWeight: 456.57942

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)NCCCC(=O)OCC

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)NCCCC(=O)OCC

InChI

InChI=1S/C19H28N4O5S2/c1-3-5-11-23-16-9-8-14(30(20,26)27)12-15(16)22-19(23)29-13-17(24)21-10-6-7-18(25)28-4-2/h8-9,12H,3-7,10-11,13H2,1-2H3,(H,21,24)(H2,20,26,27)