ethyl 4-[[5-(diethylsulfamoyl)-1-propan-2-yl-benzimidazol-2-yl]sulfanylmethyl]benzoate

Systemtic Name: ethyl 4-[[5-(diethylsulfamoyl)-1-propan-2-yl-benzimidazol-2-yl]sulfanylmethyl]benzoate Openeye Name: ethyl 4-[[5-(diethylsulfamoyl)-1-isopropyl-benzimidazol-2-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[5-(diethylsulfamoyl)-1-propan-2-yl-2-benzimidazolyl]thio]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[5-(diethylsulfamoyl)-1-propan-2-ylbenzimidazol-2-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[5-(diethylsulfamoyl)-1-isopropyl-benzimidazol-2-yl]thio]methyl]benzoic acid ethyl ester Formula: C24H31N3O4S2 MolecularWeight: 489.65064

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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=C(C=C3)C(=O)OCC)C(C)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N(C(=N2)SCC3=CC=C(C=C3)C(=O)OCC)C(C)C

InChI

InChI=1S/C24H31N3O4S2/c1-6-26(7-2)33(29,30)20-13-14-22-21(15-20)25-24(27(22)17(4)5)32-16-18-9-11-19(12-10-18)23(28)31-8-3/h9-15,17H,6-8,16H2,1-5H3