[3-(pyridin-1-ium-2-ylmethylcarbamoyl)phenyl]sulfonyl-[3-(trifluoromethyl)phenyl]azanide

Systemtic Name: [3-(pyridin-1-ium-2-ylmethylcarbamoyl)phenyl]sulfonyl-[3-(trifluoromethyl)phenyl]azanide Openeye Name: [3-(pyridin-1-ium-2-ylmethylcarbamoyl)phenyl]sulfonyl-[3-(trifluoromethyl)phenyl]azanide CAS Name: [3-[oxo-(2-pyridin-1-iumylmethylamino)methyl]phenyl]sulfonyl-[3-(trifluoromethyl)phenyl]azanide IUPAC Name: [3-(pyridin-1-ium-2-ylmethylcarbamoyl)phenyl]sulfonyl-[3-(trifluoromethyl)phenyl]azanide Traditional Name: [3-(pyridin-1-ium-2-ylmethylcarbamoyl)phenyl]sulfonyl-[3-(trifluoromethyl)phenyl]azanide Formula: C20H16F3N3O3S MolecularWeight: 435.41955

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[NH+]C(=C1)CNC(=O)C2=CC(=CC=C2)S(=O)(=O)[N-]C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C1=CC=[NH+]C(=C1)CNC(=O)C2=CC(=CC=C2)S(=O)(=O)[N-]C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C20H15F3N3O3S/c21-20(22,23)15-6-4-8-16(12-15)26-30(28,29)18-9-3-5-14(11-18)19(27)25-13-17-7-1-2-10-24-17/h1-12H,13H2,(H,25,27)/q-1/p+1