N-(5-tert-butyl-2-pyridin-2-yl-phenyl)-4-nitro-benzenesulfonamide

Systemtic Name: N-(5-tert-butyl-2-pyridin-2-yl-phenyl)-4-nitro-benzenesulfonamide Openeye Name: N-[5-tert-butyl-2-(2-pyridyl)phenyl]-4-nitro-benzenesulfonamide CAS Name: N-[5-tert-butyl-2-(2-pyridinyl)phenyl]-4-nitrobenzenesulfonamide IUPAC Name: N-(5-tert-butyl-2-pyridin-2-ylphenyl)-4-nitrobenzenesulfonamide Traditional Name: N-[5-tert-butyl-2-(2-pyridyl)phenyl]-4-nitro-benzenesulfonamide Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O4S/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/h4-14,23H,1-3H3