N-[4-(1-adamantyl)phenyl]-3-nitro-benzenesulfonamide

Systemtic Name: N-[4-(1-adamantyl)phenyl]-3-nitro-benzenesulfonamide Openeye Name: N-[4-(1-adamantyl)phenyl]-3-nitro-benzenesulfonamide CAS Name: N-[4-(1-adamantyl)phenyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[4-(1-adamantyl)phenyl]-3-nitrobenzenesulfonamide Traditional Name: N-[4-(1-adamantyl)phenyl]-3-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)20-2-1-3-21(11-20)29(27,28)23-19-6-4-18(5-7-19)22-12-15-8-16(13-22)10-17(9-15)14-22/h1-7,11,15-17,23H,8-10,12-14H2