methyl 1-[3-(methylsulfonylmethyl)phenyl]carbonyl-3,4-dihydro-2H-quinoline-5-carboxylate

Systemtic Name: methyl 1-[3-(methylsulfonylmethyl)phenyl]carbonyl-3,4-dihydro-2H-quinoline-5-carboxylate Openeye Name: methyl 1-[3-(methylsulfonylmethyl)benzoyl]-3,4-dihydro-2H-quinoline-5-carboxylate CAS Name: 1-[[3-(methylsulfonylmethyl)phenyl]-oxomethyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid methyl ester IUPAC Name: methyl 1-[3-(methylsulfonylmethyl)benzoyl]-3,4-dihydro-2H-quinoline-5-carboxylate Traditional Name: 1-[3-(mesylmethyl)benzoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid methyl ester Formula: C20H21NO5S MolecularWeight: 387.44944

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C2CCCN(C2=CC=C1)C(=O)C3=CC(=CC=C3)CS(=O)(=O)C

Isomeric SMILES

COC(=O)C1=C2CCCN(C2=CC=C1)C(=O)C3=CC(=CC=C3)CS(=O)(=O)C

InChI

InChI=1S/C20H21NO5S/c1-26-20(23)17-8-4-10-18-16(17)9-5-11-21(18)19(22)15-7-3-6-14(12-15)13-27(2,24)25/h3-4,6-8,10,12H,5,9,11,13H2,1-2H3