methyl 4-[[3-(3,4-dimethylphenyl)sulfonyl-2-oxidanylidene-imidazol-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[3-(3,4-dimethylphenyl)sulfonyl-2-oxidanylidene-imidazol-1-yl]methyl]benzoate Openeye Name: methyl 4-[[3-(3,4-dimethylphenyl)sulfonyl-2-oxo-imidazol-1-yl]methyl]benzoate CAS Name: 4-[[3-(3,4-dimethylphenyl)sulfonyl-2-oxo-1-imidazolyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-(3,4-dimethylphenyl)sulfonyl-2-oxoimidazol-1-yl]methyl]benzoate Traditional Name: 4-[[3-(3,4-dimethylphenyl)sulfonyl-2-keto-4-imidazolin-1-yl]methyl]benzoic acid methyl ester Formula: C20H20N2O5S MolecularWeight: 400.4482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2C=CN(C2=O)CC3=CC=C(C=C3)C(=O)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2C=CN(C2=O)CC3=CC=C(C=C3)C(=O)OC)C

InChI

InChI=1S/C20H20N2O5S/c1-14-4-9-18(12-15(14)2)28(25,26)22-11-10-21(20(22)24)13-16-5-7-17(8-6-16)19(23)27-3/h4-12H,13H2,1-3H3