N-[1-(2-adamantyl)ethyl]-4-chloranyl-3-nitro-benzenesulfonamide

Systemtic Name: N-[1-(2-adamantyl)ethyl]-4-chloranyl-3-nitro-benzenesulfonamide Openeye Name: N-[1-(2-adamantyl)ethyl]-4-chloro-3-nitro-benzenesulfonamide CAS Name: N-[1-(2-adamantyl)ethyl]-4-chloro-3-nitrobenzenesulfonamide IUPAC Name: N-[1-(2-adamantyl)ethyl]-4-chloro-3-nitrobenzenesulfonamide Traditional Name: N-[1-(2-adamantyl)ethyl]-4-chloro-3-nitro-benzenesulfonamide Formula: C18H23ClN2O4S MolecularWeight: 398.90422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1C2CC3CC(C2)CC1C3)NS(=O)(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C1C2CC3CC(C2)CC1C3)NS(=O)(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H23ClN2O4S/c1-10(18-13-5-11-4-12(7-13)8-14(18)6-11)20-26(24,25)15-2-3-16(19)17(9-15)21(22)23/h2-3,9-14,18,20H,4-8H2,1H3