2-chloranyl-N-cyclopropyl-5-[4-(2-morpholin-4-yl-2-oxidanylidene-ethyl)piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: 2-chloranyl-N-cyclopropyl-5-[4-(2-morpholin-4-yl-2-oxidanylidene-ethyl)piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide Openeye Name: 2-chloro-N-cyclopropyl-5-[4-(2-morpholino-2-oxo-ethyl)piperazin-4-ium-1-carbonyl]benzenesulfonamide CAS Name: 2-chloro-N-cyclopropyl-5-[[4-[2-(4-morpholinyl)-2-oxoethyl]-1-piperazin-4-iumyl]-oxomethyl]benzenesulfonamide IUPAC Name: 2-chloro-N-cyclopropyl-5-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-4-ium-1-carbonyl]benzenesulfonamide Traditional Name: 2-chloro-N-cyclopropyl-5-[4-(2-keto-2-morpholino-ethyl)piperazin-4-ium-1-carbonyl]benzenesulfonamide Formula: C20H28ClN4O5S+ MolecularWeight: 471.97812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1NS(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CC[NH+](CC3)CC(=O)N4CCOCC4)Cl

Isomeric SMILES

C1CC1NS(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CC[NH+](CC3)CC(=O)N4CCOCC4)Cl

InChI

InChI=1S/C20H27ClN4O5S/c21-17-4-1-15(13-18(17)31(28,29)22-16-2-3-16)20(27)25-7-5-23(6-8-25)14-19(26)24-9-11-30-12-10-24/h1,4,13,16,22H,2-3,5-12,14H2/p+1