[2-(4-tert-butylphenyl)-2-oxidanylidene-ethyl] 3-[5-(dimethylsulfamoyl)-1-methyl-benzimidazol-2-yl]propanoate

Systemtic Name: [2-(4-tert-butylphenyl)-2-oxidanylidene-ethyl] 3-[5-(dimethylsulfamoyl)-1-methyl-benzimidazol-2-yl]propanoate Openeye Name: [2-(4-tert-butylphenyl)-2-oxo-ethyl] 3-[5-(dimethylsulfamoyl)-1-methyl-benzimidazol-2-yl]propanoate CAS Name: 3-[5-(dimethylsulfamoyl)-1-methyl-2-benzimidazolyl]propanoic acid [2-(4-tert-butylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-tert-butylphenyl)-2-oxoethyl] 3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanoate Traditional Name: 3-[5-(dimethylsulfamoyl)-1-methyl-benzimidazol-2-yl]propionic acid [2-(4-tert-butylphenyl)-2-keto-ethyl] ester Formula: C25H31N3O5S MolecularWeight: 485.59574

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)COC(=O)CCC2=NC3=C(N2C)C=CC(=C3)S(=O)(=O)N(C)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)COC(=O)CCC2=NC3=C(N2C)C=CC(=C3)S(=O)(=O)N(C)C

InChI

InChI=1S/C25H31N3O5S/c1-25(2,3)18-9-7-17(8-10-18)22(29)16-33-24(30)14-13-23-26-20-15-19(34(31,32)27(4)5)11-12-21(20)28(23)6/h7-12,15H,13-14,16H2,1-6H3