N-[1-(1-adamantyl)butyl]-3-nitro-benzenesulfonamide

Systemtic Name: N-[1-(1-adamantyl)butyl]-3-nitro-benzenesulfonamide Openeye Name: N-[1-(1-adamantyl)butyl]-3-nitro-benzenesulfonamide CAS Name: N-[1-(1-adamantyl)butyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[1-(1-adamantyl)butyl]-3-nitrobenzenesulfonamide Traditional Name: N-[1-(1-adamantyl)butyl]-3-nitro-benzenesulfonamide Formula: C20H28N2O4S MolecularWeight: 392.51232

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C12CC3CC(C1)CC(C3)C2)NS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CCCC(C12CC3CC(C1)CC(C3)C2)NS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H28N2O4S/c1-2-4-19(20-11-14-7-15(12-20)9-16(8-14)13-20)21-27(25,26)18-6-3-5-17(10-18)22(23)24/h3,5-6,10,14-16,19,21H,2,4,7-9,11-13H2,1H3