N-[4-(1-adamantyl)phenyl]-2-nitro-benzenesulfonamide

Systemtic Name: N-[4-(1-adamantyl)phenyl]-2-nitro-benzenesulfonamide Openeye Name: N-[4-(1-adamantyl)phenyl]-2-nitro-benzenesulfonamide CAS Name: N-[4-(1-adamantyl)phenyl]-2-nitrobenzenesulfonamide IUPAC Name: N-[4-(1-adamantyl)phenyl]-2-nitrobenzenesulfonamide Traditional Name: N-[4-(1-adamantyl)phenyl]-2-nitro-benzenesulfonamide Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)NS(=O)(=O)C5=CC=CC=C5[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)NS(=O)(=O)C5=CC=CC=C5[N+](=O)[O-]

InChI

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