methyl 2-[1-(4-methylphenyl)sulfonylimidazol-4-yl]ethanoate

Systemtic Name: methyl 2-[1-(4-methylphenyl)sulfonylimidazol-4-yl]ethanoate Openeye Name: methyl 2-[1-(p-tolylsulfonyl)imidazol-4-yl]acetate CAS Name: 2-[1-(4-methylphenyl)sulfonyl-4-imidazolyl]acetic acid methyl ester IUPAC Name: methyl 2-[1-(4-methylphenyl)sulfonylimidazol-4-yl]acetate Traditional Name: 2-(1-tosylimidazol-4-yl)acetic acid methyl ester Formula: C13H14N2O4S MolecularWeight: 294.32626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O4S/c1-10-3-5-12(6-4-10)20(17,18)15-8-11(14-9-15)7-13(16)19-2/h3-6,8-9H,7H2,1-2H3