methyl 4-(2,4-dimethylimidazol-1-yl)-2-ethyl-3-methylsulfonyl-benzoate

Systemtic Name: methyl 4-(2,4-dimethylimidazol-1-yl)-2-ethyl-3-methylsulfonyl-benzoate Openeye Name: methyl 4-(2,4-dimethylimidazol-1-yl)-2-ethyl-3-methylsulfonyl-benzoate CAS Name: 4-(2,4-dimethyl-1-imidazolyl)-2-ethyl-3-methylsulfonylbenzoic acid methyl ester IUPAC Name: methyl 4-(2,4-dimethylimidazol-1-yl)-2-ethyl-3-methylsulfonylbenzoate Traditional Name: 4-(2,4-dimethylimidazol-1-yl)-2-ethyl-3-mesyl-benzoic acid methyl ester Formula: C16H20N2O4S MolecularWeight: 336.406

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1S(=O)(=O)C)N2C=C(N=C2C)C)C(=O)OC

Isomeric SMILES

CCC1=C(C=CC(=C1S(=O)(=O)C)N2C=C(N=C2C)C)C(=O)OC

InChI

InChI=1S/C16H20N2O4S/c1-6-12-13(16(19)22-4)7-8-14(15(12)23(5,20)21)18-9-10(2)17-11(18)3/h7-9H,6H2,1-5H3