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

Systemtic Name: methyl 4-methyl-2-[3-(4-methylphenyl)sulfonylpropanoyloxymethyl]quinoline-3-carboxylate Openeye Name: methyl 4-methyl-2-[3-(p-tolylsulfonyl)propanoyloxymethyl]quinoline-3-carboxylate CAS Name: 4-methyl-2-[[3-(4-methylphenyl)sulfonyl-1-oxopropoxy]methyl]-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 4-methyl-2-[3-(4-methylphenyl)sulfonylpropanoyloxymethyl]quinoline-3-carboxylate Traditional Name: 4-methyl-2-(3-tosylpropanoyloxymethyl)quinoline-3-carboxylic acid methyl ester Formula: C23H23NO6S MolecularWeight: 441.49682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC2=NC3=CC=CC=C3C(=C2C(=O)OC)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC2=NC3=CC=CC=C3C(=C2C(=O)OC)C

InChI

InChI=1S/C23H23NO6S/c1-15-8-10-17(11-9-15)31(27,28)13-12-21(25)30-14-20-22(23(26)29-3)16(2)18-6-4-5-7-19(18)24-20/h4-11H,12-14H2,1-3H3