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

Systemtic Name: methyl 2-[[4-(methylsulfonylmethyl)phenyl]carbonyloxymethyl]-4-phenyl-quinoline-3-carboxylate Openeye Name: methyl 2-[[4-(methylsulfonylmethyl)benzoyl]oxymethyl]-4-phenyl-quinoline-3-carboxylate CAS Name: 2-[[[4-(methylsulfonylmethyl)phenyl]-oxomethoxy]methyl]-4-phenyl-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(methylsulfonylmethyl)benzoyl]oxymethyl]-4-phenylquinoline-3-carboxylate Traditional Name: 2-[[4-(mesylmethyl)benzoyl]oxymethyl]-4-phenyl-quinoline-3-carboxylic acid methyl ester Formula: C27H23NO6S MolecularWeight: 489.53962

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=CC=CC=C2N=C1COC(=O)C3=CC=C(C=C3)CS(=O)(=O)C)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C(C2=CC=CC=C2N=C1COC(=O)C3=CC=C(C=C3)CS(=O)(=O)C)C4=CC=CC=C4

InChI

InChI=1S/C27H23NO6S/c1-33-27(30)25-23(16-34-26(29)20-14-12-18(13-15-20)17-35(2,31)32)28-22-11-7-6-10-21(22)24(25)19-8-4-3-5-9-19/h3-15H,16-17H2,1-2H3