N-tert-butyl-4-(3-ethanoylphenoxy)-3-nitro-benzenesulfonamide

Systemtic Name: N-tert-butyl-4-(3-ethanoylphenoxy)-3-nitro-benzenesulfonamide Openeye Name: 4-(3-acetylphenoxy)-N-tert-butyl-3-nitro-benzenesulfonamide CAS Name: 4-(3-acetylphenoxy)-N-tert-butyl-3-nitrobenzenesulfonamide IUPAC Name: 4-(3-acetylphenoxy)-N-tert-butyl-3-nitrobenzenesulfonamide Traditional Name: 4-(3-acetylphenoxy)-N-tert-butyl-3-nitro-benzenesulfonamide Formula: C18H20N2O6S MolecularWeight: 392.4262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)OC2=C(C=C(C=C2)S(=O)(=O)NC(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)OC2=C(C=C(C=C2)S(=O)(=O)NC(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C18H20N2O6S/c1-12(21)13-6-5-7-14(10-13)26-17-9-8-15(11-16(17)20(22)23)27(24,25)19-18(2,3)4/h5-11,19H,1-4H3