2-(2-morpholin-4-ium-4-ylethylamino)-5-nitro-benzenesulfonamide

Systemtic Name: 2-(2-morpholin-4-ium-4-ylethylamino)-5-nitro-benzenesulfonamide Openeye Name: 2-(2-morpholin-4-ium-4-ylethylamino)-5-nitro-benzenesulfonamide CAS Name: 2-[2-(4-morpholin-4-iumyl)ethylamino]-5-nitrobenzenesulfonamide IUPAC Name: 2-(2-morpholin-4-ium-4-ylethylamino)-5-nitrobenzenesulfonamide Traditional Name: 2-(2-morpholin-4-ium-4-ylethylamino)-5-nitro-benzenesulfonamide Formula: C12H19N4O5S+ MolecularWeight: 331.36806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCNC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N

Isomeric SMILES

C1COCC[NH+]1CCNC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N

InChI

InChI=1S/C12H18N4O5S/c13-22(19,20)12-9-10(16(17)18)1-2-11(12)14-3-4-15-5-7-21-8-6-15/h1-2,9,14H,3-8H2,(H2,13,19,20)/p+1