methyl 4-[[3-(2-methylsulfonyl-1,3-dihydroisoindol-5-yl)-2-oxidanylidene-imidazolidin-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[3-(2-methylsulfonyl-1,3-dihydroisoindol-5-yl)-2-oxidanylidene-imidazolidin-1-yl]methyl]benzoate Openeye Name: methyl 4-[[3-(2-methylsulfonylisoindolin-5-yl)-2-oxo-imidazolidin-1-yl]methyl]benzoate CAS Name: 4-[[3-(2-methylsulfonyl-1,3-dihydroisoindol-5-yl)-2-oxo-1-imidazolidinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-(2-methylsulfonyl-1,3-dihydroisoindol-5-yl)-2-oxoimidazolidin-1-yl]methyl]benzoate Traditional Name: 4-[[2-keto-3-(2-mesylisoindolin-5-yl)imidazolidin-1-yl]methyl]benzoic acid methyl ester Formula: C21H23N3O5S MolecularWeight: 429.48942

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN2CCN(C2=O)C3=CC4=C(CN(C4)S(=O)(=O)C)C=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN2CCN(C2=O)C3=CC4=C(CN(C4)S(=O)(=O)C)C=C3

InChI

InChI=1S/C21H23N3O5S/c1-29-20(25)16-5-3-15(4-6-16)12-22-9-10-24(21(22)26)19-8-7-17-13-23(30(2,27)28)14-18(17)11-19/h3-8,11H,9-10,12-14H2,1-2H3