N,N-diethyl-4-(2-morpholin-4-ium-4-ylethylamino)-3-nitro-benzenesulfonamide

Systemtic Name: N,N-diethyl-4-(2-morpholin-4-ium-4-ylethylamino)-3-nitro-benzenesulfonamide Openeye Name: N,N-diethyl-4-(2-morpholin-4-ium-4-ylethylamino)-3-nitro-benzenesulfonamide CAS Name: N,N-diethyl-4-[2-(4-morpholin-4-iumyl)ethylamino]-3-nitrobenzenesulfonamide IUPAC Name: N,N-diethyl-4-(2-morpholin-4-ium-4-ylethylamino)-3-nitrobenzenesulfonamide Traditional Name: N,N-diethyl-4-(2-morpholin-4-ium-4-ylethylamino)-3-nitro-benzenesulfonamide Formula: C16H27N4O5S+ MolecularWeight: 387.47438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)NCC[NH+]2CCOCC2)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)NCC[NH+]2CCOCC2)[N+](=O)[O-]

InChI

InChI=1S/C16H26N4O5S/c1-3-19(4-2)26(23,24)14-5-6-15(16(13-14)20(21)22)17-7-8-18-9-11-25-12-10-18/h5-6,13,17H,3-4,7-12H2,1-2H3/p+1