imidazol-1-ylmethyl 2-(4-methylphenyl)sulfonylethanoate

Systemtic Name: imidazol-1-ylmethyl 2-(4-methylphenyl)sulfonylethanoate Openeye Name: imidazol-1-ylmethyl 2-(p-tolylsulfonyl)acetate CAS Name: 2-(4-methylphenyl)sulfonylacetic acid 1-imidazolylmethyl ester IUPAC Name: imidazol-1-ylmethyl 2-(4-methylphenyl)sulfonylacetate Traditional Name: 2-tosylacetic acid imidazol-1-ylmethyl ester Formula: C13H14N2O4S MolecularWeight: 294.32626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC(=O)OCN2C=CN=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC(=O)OCN2C=CN=C2

InChI

InChI=1S/C13H14N2O4S/c1-11-2-4-12(5-3-11)20(17,18)8-13(16)19-10-15-7-6-14-9-15/h2-7,9H,8,10H2,1H3