N-(2-morpholin-4-ium-4-ylethyl)-4-nitro-benzenesulfonamide

Systemtic Name: N-(2-morpholin-4-ium-4-ylethyl)-4-nitro-benzenesulfonamide Openeye Name: N-(2-morpholin-4-ium-4-ylethyl)-4-nitro-benzenesulfonamide CAS Name: N-[2-(4-morpholin-4-iumyl)ethyl]-4-nitrobenzenesulfonamide IUPAC Name: N-(2-morpholin-4-ium-4-ylethyl)-4-nitrobenzenesulfonamide Traditional Name: N-(2-morpholin-4-ium-4-ylethyl)-4-nitro-benzenesulfonamide Formula: C12H18N3O5S+ MolecularWeight: 316.35342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCNS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1COCC[NH+]1CCNS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H17N3O5S/c16-15(17)11-1-3-12(4-2-11)21(18,19)13-5-6-14-7-9-20-10-8-14/h1-4,13H,5-10H2/p+1