methyl 4-methyl-2-[(1-methylsulfonylpiperidin-4-yl)carbonyloxymethyl]quinoline-3-carboxylate

Systemtic Name: methyl 4-methyl-2-[(1-methylsulfonylpiperidin-4-yl)carbonyloxymethyl]quinoline-3-carboxylate Openeye Name: methyl 4-methyl-2-[(1-methylsulfonylpiperidine-4-carbonyl)oxymethyl]quinoline-3-carboxylate CAS Name: 4-methyl-2-[[(1-methylsulfonyl-4-piperidinyl)-oxomethoxy]methyl]-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 4-methyl-2-[(1-methylsulfonylpiperidine-4-carbonyl)oxymethyl]quinoline-3-carboxylate Traditional Name: 2-[(1-mesylisonipecotoyl)oxymethyl]-4-methyl-quinoline-3-carboxylic acid methyl ester Formula: C20H24N2O6S MolecularWeight: 420.47936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)COC(=O)C3CCN(CC3)S(=O)(=O)C)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)COC(=O)C3CCN(CC3)S(=O)(=O)C)C(=O)OC

InChI

InChI=1S/C20H24N2O6S/c1-13-15-6-4-5-7-16(15)21-17(18(13)20(24)27-2)12-28-19(23)14-8-10-22(11-9-14)29(3,25)26/h4-7,14H,8-12H2,1-3H3