(3,5-dimethylphenyl)methyl 3-[5-(diethylsulfamoyl)-1-methyl-benzimidazol-2-yl]propanoate

Systemtic Name: (3,5-dimethylphenyl)methyl 3-[5-(diethylsulfamoyl)-1-methyl-benzimidazol-2-yl]propanoate Openeye Name: (3,5-dimethylphenyl)methyl 3-[5-(diethylsulfamoyl)-1-methyl-benzimidazol-2-yl]propanoate CAS Name: 3-[5-(diethylsulfamoyl)-1-methyl-2-benzimidazolyl]propanoic acid (3,5-dimethylphenyl)methyl ester IUPAC Name: (3,5-dimethylphenyl)methyl 3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanoate Traditional Name: 3-[5-(diethylsulfamoyl)-1-methyl-benzimidazol-2-yl]propionic acid (3,5-dimethylbenzyl) ester Formula: C24H31N3O4S MolecularWeight: 457.58564

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N(C(=N2)CCC(=O)OCC3=CC(=CC(=C3)C)C)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N(C(=N2)CCC(=O)OCC3=CC(=CC(=C3)C)C)C

InChI

InChI=1S/C24H31N3O4S/c1-6-27(7-2)32(29,30)20-8-9-22-21(15-20)25-23(26(22)5)10-11-24(28)31-16-19-13-17(3)12-18(4)14-19/h8-9,12-15H,6-7,10-11,16H2,1-5H3