2-chloranyl-N-(3-morpholin-4-ium-4-ylpropyl)-5-nitro-benzenesulfonamide

Systemtic Name: 2-chloranyl-N-(3-morpholin-4-ium-4-ylpropyl)-5-nitro-benzenesulfonamide Openeye Name: 2-chloro-N-(3-morpholin-4-ium-4-ylpropyl)-5-nitro-benzenesulfonamide CAS Name: 2-chloro-N-[3-(4-morpholin-4-iumyl)propyl]-5-nitrobenzenesulfonamide IUPAC Name: 2-chloro-N-(3-morpholin-4-ium-4-ylpropyl)-5-nitrobenzenesulfonamide Traditional Name: 2-chloro-N-(3-morpholin-4-ium-4-ylpropyl)-5-nitro-benzenesulfonamide Formula: C13H19ClN3O5S+ MolecularWeight: 364.82506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18ClN3O5S/c14-12-3-2-11(17(18)19)10-13(12)23(20,21)15-4-1-5-16-6-8-22-9-7-16/h2-3,10,15H,1,4-9H2/p+1