methyl 4-[(2-ethylquinolin-4-yl)-methylsulfonyloxy-methyl]benzoate

Systemtic Name: methyl 4-[(2-ethylquinolin-4-yl)-methylsulfonyloxy-methyl]benzoate Openeye Name: methyl 4-[(2-ethyl-4-quinolyl)-methylsulfonyloxy-methyl]benzoate CAS Name: 4-[(2-ethyl-4-quinolinyl)-methylsulfonyloxymethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(2-ethylquinolin-4-yl)-methylsulfonyloxymethyl]benzoate Traditional Name: 4-[(2-ethyl-4-quinolyl)-methylsulfonyloxy-methyl]benzoic acid methyl ester Formula: C21H21NO5S MolecularWeight: 399.46014

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=C1)C(C3=CC=C(C=C3)C(=O)OC)OS(=O)(=O)C

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=C1)C(C3=CC=C(C=C3)C(=O)OC)OS(=O)(=O)C

InChI

InChI=1S/C21H21NO5S/c1-4-16-13-18(17-7-5-6-8-19(17)22-16)20(27-28(3,24)25)14-9-11-15(12-10-14)21(23)26-2/h5-13,20H,4H2,1-3H3