4-[(2-tert-butyl-4,6-diphenyl-pyridin-1-ium-1-yl)methyl]benzenesulfonamide

Systemtic Name: 4-[(2-tert-butyl-4,6-diphenyl-pyridin-1-ium-1-yl)methyl]benzenesulfonamide Openeye Name: 4-[(2-tert-butyl-4,6-diphenyl-pyridin-1-ium-1-yl)methyl]benzenesulfonamide CAS Name: 4-[(2-tert-butyl-4,6-diphenyl-1-pyridin-1-iumyl)methyl]benzenesulfonamide IUPAC Name: 4-[(2-tert-butyl-4,6-diphenylpyridin-1-ium-1-yl)methyl]benzenesulfonamide Traditional Name: 4-[(2-tert-butyl-4,6-diphenyl-pyridin-1-ium-1-yl)methyl]benzenesulfonamide Formula: C28H29N2O2S+ MolecularWeight: 457.60706

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=[N+]1CC2=CC=C(C=C2)S(=O)(=O)N)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=[N+]1CC2=CC=C(C=C2)S(=O)(=O)N)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H29N2O2S/c1-28(2,3)27-19-24(22-10-6-4-7-11-22)18-26(23-12-8-5-9-13-23)30(27)20-21-14-16-25(17-15-21)33(29,31)32/h4-19H,20H2,1-3H3,(H2,29,31,32)/q+1