methyl 4-methyl-2-[(3-methylsulfonylphenyl)carbonyloxymethyl]quinoline-3-carboxylate

Systemtic Name: methyl 4-methyl-2-[(3-methylsulfonylphenyl)carbonyloxymethyl]quinoline-3-carboxylate Openeye Name: methyl 4-methyl-2-[(3-methylsulfonylbenzoyl)oxymethyl]quinoline-3-carboxylate CAS Name: 4-methyl-2-[[(3-methylsulfonylphenyl)-oxomethoxy]methyl]-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 4-methyl-2-[(3-methylsulfonylbenzoyl)oxymethyl]quinoline-3-carboxylate Traditional Name: 2-[(3-mesylbenzoyl)oxymethyl]-4-methyl-quinoline-3-carboxylic acid methyl ester Formula: C21H19NO6S MolecularWeight: 413.44366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)COC(=O)C3=CC(=CC=C3)S(=O)(=O)C)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)COC(=O)C3=CC(=CC=C3)S(=O)(=O)C)C(=O)OC

InChI

InChI=1S/C21H19NO6S/c1-13-16-9-4-5-10-17(16)22-18(19(13)21(24)27-2)12-28-20(23)14-7-6-8-15(11-14)29(3,25)26/h4-11H,12H2,1-3H3