sodium 4-[2-[7-methoxy-4-(trifluoromethyl)quinolin-2-yl]sulfanylethanoylamino]benzoate

Systemtic Name: sodium 4-[2-[7-methoxy-4-(trifluoromethyl)quinolin-2-yl]sulfanylethanoylamino]benzoate Openeye Name: sodium 4-[[2-[[7-methoxy-4-(trifluoromethyl)-2-quinolyl]sulfanyl]acetyl]amino]benzoate CAS Name: sodium 4-[[2-[[7-methoxy-4-(trifluoromethyl)-2-quinolinyl]thio]-1-oxoethyl]amino]benzoate IUPAC Name: sodium 4-[[2-[7-methoxy-4-(trifluoromethyl)quinolin-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: sodium 4-[[2-[[7-methoxy-4-(trifluoromethyl)-2-quinolyl]thio]acetyl]amino]benzoate Formula: C20H14F3N2NaO4S MolecularWeight: 458.38614

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=N2)SCC(=O)NC3=CC=C(C=C3)C(=O)[O-])C(F)(F)F.[Na+]

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=N2)SCC(=O)NC3=CC=C(C=C3)C(=O)[O-])C(F)(F)F.[Na+]

InChI

InChI=1S/C20H15F3N2O4S.Na/c1-29-13-6-7-14-15(20(21,22)23)9-18(25-16(14)8-13)30-10-17(26)24-12-4-2-11(3-5-12)19(27)28;/h2-9H,10H2,1H3,(H,24,26)(H,27,28);/q;+1/p-1