N-[4-(2-adamantyl)phenyl]-3-nitro-benzenesulfonamide

Systemtic Name: N-[4-(2-adamantyl)phenyl]-3-nitro-benzenesulfonamide Openeye Name: N-[4-(2-adamantyl)phenyl]-3-nitro-benzenesulfonamide CAS Name: N-[4-(2-adamantyl)phenyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[4-(2-adamantyl)phenyl]-3-nitrobenzenesulfonamide Traditional Name: N-[4-(2-adamantyl)phenyl]-3-nitro-benzenesulfonamide Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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