N-phenoxathiin-2-yl-4-(2,4,6-trimethylpyridin-1-ium-1-yl)benzenesulfonamide

Systemtic Name: N-phenoxathiin-2-yl-4-(2,4,6-trimethylpyridin-1-ium-1-yl)benzenesulfonamide Openeye Name: N-phenoxathiin-2-yl-4-(2,4,6-trimethylpyridin-1-ium-1-yl)benzenesulfonamide CAS Name: N-(2-phenoxathiinyl)-4-(2,4,6-trimethyl-1-pyridin-1-iumyl)benzenesulfonamide IUPAC Name: N-phenoxathiin-2-yl-4-(2,4,6-trimethylpyridin-1-ium-1-yl)benzenesulfonamide Traditional Name: N-phenoxathiin-2-yl-4-(2,4,6-trimethylpyridin-1-ium-1-yl)benzenesulfonamide Formula: C26H23N2O3S2+ MolecularWeight: 475.60242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[N+](C(=C1)C)C2=CC=C(C=C2)S(=O)(=O)NC3=CC4=C(C=C3)OC5=CC=CC=C5S4)C

Isomeric SMILES

CC1=CC(=[N+](C(=C1)C)C2=CC=C(C=C2)S(=O)(=O)NC3=CC4=C(C=C3)OC5=CC=CC=C5S4)C

InChI

InChI=1S/C26H23N2O3S2/c1-17-14-18(2)28(19(3)15-17)21-9-11-22(12-10-21)33(29,30)27-20-8-13-24-26(16-20)32-25-7-5-4-6-23(25)31-24/h4-16,27H,1-3H3/q+1