quinolin-8-yl 2-(4-methylphenyl)sulfonylethanoate

Systemtic Name: quinolin-8-yl 2-(4-methylphenyl)sulfonylethanoate Openeye Name: 8-quinolyl 2-(p-tolylsulfonyl)acetate CAS Name: 2-(4-methylphenyl)sulfonylacetic acid 8-quinolinyl ester IUPAC Name: quinolin-8-yl 2-(4-methylphenyl)sulfonylacetate Traditional Name: 2-tosylacetic acid 8-quinolyl ester Formula: C18H15NO4S MolecularWeight: 341.381

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC(=O)OC2=CC=CC3=C2N=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC(=O)OC2=CC=CC3=C2N=CC=C3

InChI

InChI=1S/C18H15NO4S/c1-13-7-9-15(10-8-13)24(21,22)12-17(20)23-16-6-2-4-14-5-3-11-19-18(14)16/h2-11H,12H2,1H3