methyl 2-[3-(4-fluorophenyl)sulfonylpropanoyloxymethyl]-4-methyl-quinoline-3-carboxylate

Systemtic Name: methyl 2-[3-(4-fluorophenyl)sulfonylpropanoyloxymethyl]-4-methyl-quinoline-3-carboxylate Openeye Name: methyl 2-[3-(4-fluorophenyl)sulfonylpropanoyloxymethyl]-4-methyl-quinoline-3-carboxylate CAS Name: 2-[[3-(4-fluorophenyl)sulfonyl-1-oxopropoxy]methyl]-4-methyl-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[3-(4-fluorophenyl)sulfonylpropanoyloxymethyl]-4-methylquinoline-3-carboxylate Traditional Name: 2-[3-(4-fluorophenyl)sulfonylpropanoyloxymethyl]-4-methyl-quinoline-3-carboxylic acid methyl ester Formula: C22H20FNO6S MolecularWeight: 445.460703

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20FNO6S/c1-14-17-5-3-4-6-18(17)24-19(21(14)22(26)29-2)13-30-20(25)11-12-31(27,28)16-9-7-15(23)8-10-16/h3-10H,11-13H2,1-2H3