4-aminocarbonyl-3-[6-fluoranyl-4-(trifluoromethyl)morpholin-2-yl]quinoline-2-sulfonic acid

Systemtic Name: 4-aminocarbonyl-3-[6-fluoranyl-4-(trifluoromethyl)morpholin-2-yl]quinoline-2-sulfonic acid Openeye Name: 4-carbamoyl-3-[6-fluoro-4-(trifluoromethyl)morpholin-2-yl]quinoline-2-sulfonic acid CAS Name: 4-carbamoyl-3-[6-fluoro-4-(trifluoromethyl)-2-morpholinyl]-2-quinolinesulfonic acid IUPAC Name: 4-carbamoyl-3-[6-fluoro-4-(trifluoromethyl)morpholin-2-yl]quinoline-2-sulfonic acid Traditional Name: 4-carbamoyl-3-[6-fluoro-4-(trifluoromethyl)morpholin-2-yl]quinoline-2-sulfonic acid Formula: C15H13F4N3O5S MolecularWeight: 423.339433

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(CN1C(F)(F)F)F)C2=C(C3=CC=CC=C3N=C2S(=O)(=O)O)C(=O)N

Isomeric SMILES

C1C(OC(CN1C(F)(F)F)F)C2=C(C3=CC=CC=C3N=C2S(=O)(=O)O)C(=O)N

InChI

InChI=1S/C15H13F4N3O5S/c16-10-6-22(15(17,18)19)5-9(27-10)12-11(13(20)23)7-3-1-2-4-8(7)21-14(12)28(24,25)26/h1-4,9-10H,5-6H2,(H2,20,23)(H,24,25,26)