4-(2-morpholin-4-ium-4-ylethylamino)-3-nitro-N-propan-2-yl-benzenesulfonamide

Systemtic Name: 4-(2-morpholin-4-ium-4-ylethylamino)-3-nitro-N-propan-2-yl-benzenesulfonamide Openeye Name: N-isopropyl-4-(2-morpholin-4-ium-4-ylethylamino)-3-nitro-benzenesulfonamide CAS Name: 4-[2-(4-morpholin-4-iumyl)ethylamino]-3-nitro-N-propan-2-ylbenzenesulfonamide IUPAC Name: 4-(2-morpholin-4-ium-4-ylethylamino)-3-nitro-N-propan-2-ylbenzenesulfonamide Traditional Name: N-isopropyl-4-(2-morpholin-4-ium-4-ylethylamino)-3-nitro-benzenesulfonamide Formula: C15H25N4O5S+ MolecularWeight: 373.4478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H24N4O5S/c1-12(2)17-25(22,23)13-3-4-14(15(11-13)19(20)21)16-5-6-18-7-9-24-10-8-18/h3-4,11-12,16-17H,5-10H2,1-2H3/p+1