methyl 3-[[5-(diethylsulfamoyl)-1-(furan-2-ylmethyl)benzimidazol-2-yl]sulfanylmethyl]benzoate

Systemtic Name: methyl 3-[[5-(diethylsulfamoyl)-1-(furan-2-ylmethyl)benzimidazol-2-yl]sulfanylmethyl]benzoate Openeye Name: methyl 3-[[5-(diethylsulfamoyl)-1-(2-furylmethyl)benzimidazol-2-yl]sulfanylmethyl]benzoate CAS Name: 3-[[[5-(diethylsulfamoyl)-1-(2-furanylmethyl)-2-benzimidazolyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[5-(diethylsulfamoyl)-1-(furan-2-ylmethyl)benzimidazol-2-yl]sulfanylmethyl]benzoate Traditional Name: 3-[[[5-(diethylsulfamoyl)-1-(2-furfuryl)benzimidazol-2-yl]thio]methyl]benzoic acid methyl ester Formula: C25H27N3O5S2 MolecularWeight: 513.62898

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N(C(=N2)SCC3=CC=CC(=C3)C(=O)OC)CC4=CC=CO4

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N(C(=N2)SCC3=CC=CC(=C3)C(=O)OC)CC4=CC=CO4

InChI

InChI=1S/C25H27N3O5S2/c1-4-27(5-2)35(30,31)21-11-12-23-22(15-21)26-25(28(23)16-20-10-7-13-33-20)34-17-18-8-6-9-19(14-18)24(29)32-3/h6-15H,4-5,16-17H2,1-3H3