(3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-[5-(diethylsulfamoyl)-1-methyl-benzimidazol-2-yl]propanoate

Systemtic Name: (3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-[5-(diethylsulfamoyl)-1-methyl-benzimidazol-2-yl]propanoate Openeye Name: (3,5-dimethylisoxazol-4-yl)methyl 3-[5-(diethylsulfamoyl)-1-methyl-benzimidazol-2-yl]propanoate CAS Name: 3-[5-(diethylsulfamoyl)-1-methyl-2-benzimidazolyl]propanoic acid (3,5-dimethyl-4-isoxazolyl)methyl ester IUPAC Name: (3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanoate Traditional Name: 3-[5-(diethylsulfamoyl)-1-methyl-benzimidazol-2-yl]propionic acid (3,5-dimethylisoxazol-4-yl)methyl ester Formula: C21H28N4O5S MolecularWeight: 448.53582

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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=C(ON=C3C)C)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N(C(=N2)CCC(=O)OCC3=C(ON=C3C)C)C

InChI

InChI=1S/C21H28N4O5S/c1-6-25(7-2)31(27,28)16-8-9-19-18(12-16)22-20(24(19)5)10-11-21(26)29-13-17-14(3)23-30-15(17)4/h8-9,12H,6-7,10-11,13H2,1-5H3