sodium [2-fluoranyl-4-(trifluoromethyl)phenyl]carbonyl-(6-morpholin-4-ylpyridin-3-yl)sulfonyl-azanide

Systemtic Name: sodium [2-fluoranyl-4-(trifluoromethyl)phenyl]carbonyl-(6-morpholin-4-ylpyridin-3-yl)sulfonyl-azanide Openeye Name: sodium [2-fluoro-4-(trifluoromethyl)benzoyl]-[(6-morpholino-3-pyridyl)sulfonyl]azanide CAS Name: sodium [[2-fluoro-4-(trifluoromethyl)phenyl]-oxomethyl]-[[6-(4-morpholinyl)-3-pyridinyl]sulfonyl]azanide IUPAC Name: sodium [2-fluoro-4-(trifluoromethyl)benzoyl]-(6-morpholin-4-ylpyridin-3-yl)sulfonylazanide Traditional Name: sodium [2-fluoro-4-(trifluoromethyl)benzoyl]-[(6-morpholino-3-pyridyl)sulfonyl]azanide Formula: C17H14F4N3NaO4S MolecularWeight: 455.359143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC=C(C=C2)S(=O)(=O)[N-]C(=O)C3=C(C=C(C=C3)C(F)(F)F)F.[Na+]

Isomeric SMILES

C1COCCN1C2=NC=C(C=C2)S(=O)(=O)[N-]C(=O)C3=C(C=C(C=C3)C(F)(F)F)F.[Na+]

InChI

InChI=1S/C17H15F4N3O4S.Na/c18-14-9-11(17(19,20)21)1-3-13(14)16(25)23-29(26,27)12-2-4-15(22-10-12)24-5-7-28-8-6-24;/h1-4,9-10H,5-8H2,(H,23,25);/q;+1/p-1