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

Systemtic Name: N-[1-(1-adamantyl)pyrazol-3-yl]-4-nitro-benzenesulfonamide Openeye Name: N-[1-(1-adamantyl)pyrazol-3-yl]-4-nitro-benzenesulfonamide CAS Name: N-[1-(1-adamantyl)-3-pyrazolyl]-4-nitrobenzenesulfonamide IUPAC Name: N-[1-(1-adamantyl)pyrazol-3-yl]-4-nitrobenzenesulfonamide Traditional Name: N-[1-(1-adamantyl)pyrazol-3-yl]-4-nitro-benzenesulfonamide Formula: C19H22N4O4S MolecularWeight: 402.46738

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)N4C=CC(=N4)NS(=O)(=O)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)N4C=CC(=N4)NS(=O)(=O)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C19H22N4O4S/c24-23(25)16-1-3-17(4-2-16)28(26,27)21-18-5-6-22(20-18)19-10-13-7-14(11-19)9-15(8-13)12-19/h1-6,13-15H,7-12H2,(H,20,21)