N-phenoxathiin-2-yl-3-(2,4,6-triphenylpyridin-1-ium-1-yl)benzenesulfonamide

Systemtic Name: N-phenoxathiin-2-yl-3-(2,4,6-triphenylpyridin-1-ium-1-yl)benzenesulfonamide Openeye Name: N-phenoxathiin-2-yl-3-(2,4,6-triphenylpyridin-1-ium-1-yl)benzenesulfonamide CAS Name: N-(2-phenoxathiinyl)-3-(2,4,6-triphenyl-1-pyridin-1-iumyl)benzenesulfonamide IUPAC Name: N-phenoxathiin-2-yl-3-(2,4,6-triphenylpyridin-1-ium-1-yl)benzenesulfonamide Traditional Name: N-phenoxathiin-2-yl-3-(2,4,6-triphenylpyridin-1-ium-1-yl)benzenesulfonamide Formula: C41H29N2O3S2+ MolecularWeight: 661.81056

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=[N+](C(=C2)C3=CC=CC=C3)C4=CC(=CC=C4)S(=O)(=O)NC5=CC6=C(C=C5)OC7=CC=CC=C7S6)C8=CC=CC=C8

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=[N+](C(=C2)C3=CC=CC=C3)C4=CC(=CC=C4)S(=O)(=O)NC5=CC6=C(C=C5)OC7=CC=CC=C7S6)C8=CC=CC=C8

InChI

InChI=1S/C41H29N2O3S2/c44-48(45,42-33-23-24-39-41(27-33)47-40-22-11-10-21-38(40)46-39)35-20-12-19-34(28-35)43-36(30-15-6-2-7-16-30)25-32(29-13-4-1-5-14-29)26-37(43)31-17-8-3-9-18-31/h1-28,42H/q+1