N-[4-(2-adamantyl)phenyl]-4-nitro-benzenesulfonamide

Systemtic Name: N-[4-(2-adamantyl)phenyl]-4-nitro-benzenesulfonamide Openeye Name: N-[4-(2-adamantyl)phenyl]-4-nitro-benzenesulfonamide CAS Name: N-[4-(2-adamantyl)phenyl]-4-nitrobenzenesulfonamide IUPAC Name: N-[4-(2-adamantyl)phenyl]-4-nitrobenzenesulfonamide Traditional Name: N-[4-(2-adamantyl)phenyl]-4-nitro-benzenesulfonamide Formula: C22H24N2O4S MolecularWeight: 412.50196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3C4=CC=C(C=C4)NS(=O)(=O)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)C3C4=CC=C(C=C4)NS(=O)(=O)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C22H24N2O4S/c25-24(26)20-5-7-21(8-6-20)29(27,28)23-19-3-1-16(2-4-19)22-17-10-14-9-15(12-17)13-18(22)11-14/h1-8,14-15,17-18,22-23H,9-13H2