methyl 3-[3-[4-(4-cyanophenyl)-2-methylsulfonyl-phenyl]-2-oxidanylidene-imidazolidin-1-yl]propanoate

Systemtic Name: methyl 3-[3-[4-(4-cyanophenyl)-2-methylsulfonyl-phenyl]-2-oxidanylidene-imidazolidin-1-yl]propanoate Openeye Name: methyl 3-[3-[4-(4-cyanophenyl)-2-methylsulfonyl-phenyl]-2-oxo-imidazolidin-1-yl]propanoate CAS Name: 3-[3-[4-(4-cyanophenyl)-2-methylsulfonylphenyl]-2-oxo-1-imidazolidinyl]propanoic acid methyl ester IUPAC Name: methyl 3-[3-[4-(4-cyanophenyl)-2-methylsulfonylphenyl]-2-oxoimidazolidin-1-yl]propanoate Traditional Name: 3-[3-[4-(4-cyanophenyl)-2-mesyl-phenyl]-2-keto-imidazolidin-1-yl]propionic acid methyl ester Formula: C21H21N3O5S MolecularWeight: 427.47354

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1CCN(C1=O)C2=C(C=C(C=C2)C3=CC=C(C=C3)C#N)S(=O)(=O)C

Isomeric SMILES

COC(=O)CCN1CCN(C1=O)C2=C(C=C(C=C2)C3=CC=C(C=C3)C#N)S(=O)(=O)C

InChI

InChI=1S/C21H21N3O5S/c1-29-20(25)9-10-23-11-12-24(21(23)26)18-8-7-17(13-19(18)30(2,27)28)16-5-3-15(14-22)4-6-16/h3-8,13H,9-12H2,1-2H3