N-(1-adamantyl)-N-methyl-3-nitro-benzenesulfonamide

Systemtic Name: N-(1-adamantyl)-N-methyl-3-nitro-benzenesulfonamide Openeye Name: N-(1-adamantyl)-N-methyl-3-nitro-benzenesulfonamide CAS Name: N-(1-adamantyl)-N-methyl-3-nitrobenzenesulfonamide IUPAC Name: N-(1-adamantyl)-N-methyl-3-nitrobenzenesulfonamide Traditional Name: N-(1-adamantyl)-N-methyl-3-nitro-benzenesulfonamide Formula: C17H22N2O4S MolecularWeight: 350.43258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C12CC3CC(C1)CC(C3)C2)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CN(C12CC3CC(C1)CC(C3)C2)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C17H22N2O4S/c1-18(17-9-12-5-13(10-17)7-14(6-12)11-17)24(22,23)16-4-2-3-15(8-16)19(20)21/h2-4,8,12-14H,5-7,9-11H2,1H3