1-methylidene-2-oxidanylidene-3-[(phenylmethyl)sulfonylamino]-6-(trifluoromethyl)pyridin-1-ium-4-carboxylic acid

Systemtic Name: 1-methylidene-2-oxidanylidene-3-[(phenylmethyl)sulfonylamino]-6-(trifluoromethyl)pyridin-1-ium-4-carboxylic acid Openeye Name: 3-(benzylsulfonylamino)-1-methylene-2-oxo-6-(trifluoromethyl)pyridin-1-ium-4-carboxylic acid CAS Name: 1-methylene-2-oxo-3-[(phenylmethyl)sulfonylamino]-6-(trifluoromethyl)-4-pyridin-1-iumcarboxylic acid IUPAC Name: 3-(benzylsulfonylamino)-1-methylidene-2-oxo-6-(trifluoromethyl)pyridin-1-ium-4-carboxylic acid Traditional Name: 3-(benzylsulfonylamino)-2-keto-1-methylene-6-(trifluoromethyl)pyridin-1-ium-4-carboxylic acid Formula: C15H12F3N2O5S+ MolecularWeight: 389.32639

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Descriptors Computed from Structure

Canonical SMILES:

C=[N+]1C(=CC(=C(C1=O)NS(=O)(=O)CC2=CC=CC=C2)C(=O)O)C(F)(F)F

Isomeric SMILES

C=[N+]1C(=CC(=C(C1=O)NS(=O)(=O)CC2=CC=CC=C2)C(=O)O)C(F)(F)F

InChI

InChI=1S/C15H11F3N2O5S/c1-20-11(15(16,17)18)7-10(14(22)23)12(13(20)21)19-26(24,25)8-9-5-3-2-4-6-9/h2-7,19H,1,8H2/p+1