dimethyl 5-[[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]benzene-1,3-dicarboxylate CAS Name: 5-[[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]benzene-1,3-dicarboxylate Traditional Name: 5-[[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C20H18F3NO6S MolecularWeight: 457.42023

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)S(=O)(=O)N2CCCC3=C2C=CC(=C3)C(F)(F)F)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)S(=O)(=O)N2CCCC3=C2C=CC(=C3)C(F)(F)F)C(=O)OC

InChI

InChI=1S/C20H18F3NO6S/c1-29-18(25)13-8-14(19(26)30-2)11-16(10-13)31(27,28)24-7-3-4-12-9-15(20(21,22)23)5-6-17(12)24/h5-6,8-11H,3-4,7H2,1-2H3