N-(5-tert-butyl-2-pyridin-2-yl-phenyl)-4-nitro-benzenesulfonamide; ethanoic acid; palladium; pyridine

Systemtic Name: N-(5-tert-butyl-2-pyridin-2-yl-phenyl)-4-nitro-benzenesulfonamide; ethanoic acid; palladium; pyridine Openeye Name: acetic acid; N-[5-tert-butyl-2-(2-pyridyl)phenyl]-4-nitro-benzenesulfonamide; palladium; pyridine CAS Name: acetic acid; N-[5-tert-butyl-2-(2-pyridinyl)phenyl]-4-nitrobenzenesulfonamide; palladium; pyridine IUPAC Name: acetic acid; N-(5-tert-butyl-2-pyridin-2-ylphenyl)-4-nitrobenzenesulfonamide; palladium; pyridine Traditional Name: acetic acid; N-[5-tert-butyl-2-(2-pyridyl)phenyl]-4-nitro-benzenesulfonamide; palladium; pyridine Formula: C28H30N4O6PdS MolecularWeight: 657.046

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.CC(C)(C)C1=CC(=C(C=C1)C2=CC=CC=N2)NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-].C1=CC=NC=C1.[Pd]

Isomeric SMILES

CC(=O)O.CC(C)(C)C1=CC(=C(C=C1)C2=CC=CC=N2)NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-].C1=CC=NC=C1.[Pd]

InChI

InChI=1S/C21H21N3O4S.C5H5N.C2H4O2.Pd/c1-21(2,3)15-7-12-18(19-6-4-5-13-22-19)20(14-15)23-29(27,28)17-10-8-16(9-11-17)24(25)26;1-2-4-6-5-3-1;1-2(3)4;/h4-14,23H,1-3H3;1-5H;1H3,(H,3,4);