3-(2,6-dimethyl-4-phenyl-pyridin-1-ium-1-yl)-N-phenoxathiin-2-yl-benzenesulfonamide

Systemtic Name: 3-(2,6-dimethyl-4-phenyl-pyridin-1-ium-1-yl)-N-phenoxathiin-2-yl-benzenesulfonamide Openeye Name: 3-(2,6-dimethyl-4-phenyl-pyridin-1-ium-1-yl)-N-phenoxathiin-2-yl-benzenesulfonamide CAS Name: 3-(2,6-dimethyl-4-phenyl-1-pyridin-1-iumyl)-N-(2-phenoxathiinyl)benzenesulfonamide IUPAC Name: 3-(2,6-dimethyl-4-phenylpyridin-1-ium-1-yl)-N-phenoxathiin-2-ylbenzenesulfonamide Traditional Name: 3-(2,6-dimethyl-4-phenyl-pyridin-1-ium-1-yl)-N-phenoxathiin-2-yl-benzenesulfonamide Formula: C31H25N2O3S2+ MolecularWeight: 537.6718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=[N+]1C2=CC(=CC=C2)S(=O)(=O)NC3=CC4=C(C=C3)OC5=CC=CC=C5S4)C)C6=CC=CC=C6

Isomeric SMILES

CC1=CC(=CC(=[N+]1C2=CC(=CC=C2)S(=O)(=O)NC3=CC4=C(C=C3)OC5=CC=CC=C5S4)C)C6=CC=CC=C6

InChI

InChI=1S/C31H25N2O3S2/c1-21-17-24(23-9-4-3-5-10-23)18-22(2)33(21)26-11-8-12-27(20-26)38(34,35)32-25-15-16-29-31(19-25)37-30-14-7-6-13-28(30)36-29/h3-20,32H,1-2H3/q+1