dimethyl 2-[1-(4-methylphenyl)sulfonylimidazol-4-yl]propanedioate

Systemtic Name: dimethyl 2-[1-(4-methylphenyl)sulfonylimidazol-4-yl]propanedioate Openeye Name: dimethyl 2-[1-(p-tolylsulfonyl)imidazol-4-yl]propanedioate CAS Name: 2-[1-(4-methylphenyl)sulfonyl-4-imidazolyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[1-(4-methylphenyl)sulfonylimidazol-4-yl]propanedioate Traditional Name: 2-(1-tosylimidazol-4-yl)malonic acid dimethyl ester Formula: C15H16N2O6S MolecularWeight: 352.36234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(N=C2)C(C(=O)OC)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(N=C2)C(C(=O)OC)C(=O)OC

InChI

InChI=1S/C15H16N2O6S/c1-10-4-6-11(7-5-10)24(20,21)17-8-12(16-9-17)13(14(18)22-2)15(19)23-3/h4-9,13H,1-3H3