N-(1-adamantyl)-4-fluoranyl-3-nitro-benzenesulfonamide

Systemtic Name: N-(1-adamantyl)-4-fluoranyl-3-nitro-benzenesulfonamide Openeye Name: N-(1-adamantyl)-4-fluoro-3-nitro-benzenesulfonamide CAS Name: N-(1-adamantyl)-4-fluoro-3-nitrobenzenesulfonamide IUPAC Name: N-(1-adamantyl)-4-fluoro-3-nitrobenzenesulfonamide Traditional Name: N-(1-adamantyl)-4-fluoro-3-nitro-benzenesulfonamide Formula: C16H19FN2O4S MolecularWeight: 354.396463

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19FN2O4S/c17-14-2-1-13(6-15(14)19(20)21)24(22,23)18-16-7-10-3-11(8-16)5-12(4-10)9-16/h1-2,6,10-12,18H,3-5,7-9H2