ethyl 2-[5-(diethylsulfamoyl)-1-(oxolan-2-ylmethyl)benzimidazol-2-yl]sulfanylethanoate

Systemtic Name: ethyl 2-[5-(diethylsulfamoyl)-1-(oxolan-2-ylmethyl)benzimidazol-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[5-(diethylsulfamoyl)-1-(tetrahydrofuran-2-ylmethyl)benzimidazol-2-yl]sulfanylacetate CAS Name: 2-[[5-(diethylsulfamoyl)-1-(2-oxolanylmethyl)-2-benzimidazolyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[5-(diethylsulfamoyl)-1-(oxolan-2-ylmethyl)benzimidazol-2-yl]sulfanylacetate Traditional Name: 2-[[5-(diethylsulfamoyl)-1-(tetrahydrofurfuryl)benzimidazol-2-yl]thio]acetic acid ethyl ester Formula: C20H29N3O5S2 MolecularWeight: 455.59136

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N(C(=N2)SCC(=O)OCC)CC3CCCO3

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N(C(=N2)SCC(=O)OCC)CC3CCCO3

InChI

InChI=1S/C20H29N3O5S2/c1-4-22(5-2)30(25,26)16-9-10-18-17(12-16)21-20(29-14-19(24)27-6-3)23(18)13-15-8-7-11-28-15/h9-10,12,15H,4-8,11,13-14H2,1-3H3