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

Systemtic Name: methyl 2-[(1-methylsulfonylpiperidin-4-yl)carbonyloxymethyl]-4-phenyl-quinoline-3-carboxylate Openeye Name: methyl 2-[(1-methylsulfonylpiperidine-4-carbonyl)oxymethyl]-4-phenyl-quinoline-3-carboxylate CAS Name: 2-[[(1-methylsulfonyl-4-piperidinyl)-oxomethoxy]methyl]-4-phenyl-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(1-methylsulfonylpiperidine-4-carbonyl)oxymethyl]-4-phenylquinoline-3-carboxylate Traditional Name: 2-[(1-mesylisonipecotoyl)oxymethyl]-4-phenyl-quinoline-3-carboxylic acid methyl ester Formula: C25H26N2O6S MolecularWeight: 482.54874

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=CC=CC=C2N=C1COC(=O)C3CCN(CC3)S(=O)(=O)C)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C(C2=CC=CC=C2N=C1COC(=O)C3CCN(CC3)S(=O)(=O)C)C4=CC=CC=C4

InChI

InChI=1S/C25H26N2O6S/c1-32-25(29)23-21(16-33-24(28)18-12-14-27(15-13-18)34(2,30)31)26-20-11-7-6-10-19(20)22(23)17-8-4-3-5-9-17/h3-11,18H,12-16H2,1-2H3