4-tert-butyl-N-[2-(3-nitropyridin-2-yl)sulfanylphenyl]benzenesulfonamide

Systemtic Name: 4-tert-butyl-N-[2-(3-nitropyridin-2-yl)sulfanylphenyl]benzenesulfonamide Openeye Name: 4-tert-butyl-N-[2-[(3-nitro-2-pyridyl)sulfanyl]phenyl]benzenesulfonamide CAS Name: 4-tert-butyl-N-[2-[(3-nitro-2-pyridinyl)thio]phenyl]benzenesulfonamide IUPAC Name: 4-tert-butyl-N-[2-(3-nitropyridin-2-yl)sulfanylphenyl]benzenesulfonamide Traditional Name: 4-tert-butyl-N-[2-[(3-nitro-2-pyridyl)thio]phenyl]benzenesulfonamide Formula: C21H21N3O4S2 MolecularWeight: 443.53914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2SC3=C(C=CC=N3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2SC3=C(C=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O4S2/c1-21(2,3)15-10-12-16(13-11-15)30(27,28)23-17-7-4-5-9-19(17)29-20-18(24(25)26)8-6-14-22-20/h4-14,23H,1-3H3