N-(2-fluorophenyl)-3-[4-(2-morpholin-4-yl-2-oxidanylidene-ethyl)piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: N-(2-fluorophenyl)-3-[4-(2-morpholin-4-yl-2-oxidanylidene-ethyl)piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide Openeye Name: N-(2-fluorophenyl)-3-[4-(2-morpholino-2-oxo-ethyl)piperazin-4-ium-1-carbonyl]benzenesulfonamide CAS Name: N-(2-fluorophenyl)-3-[[4-[2-(4-morpholinyl)-2-oxoethyl]-1-piperazin-4-iumyl]-oxomethyl]benzenesulfonamide IUPAC Name: N-(2-fluorophenyl)-3-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-4-ium-1-carbonyl]benzenesulfonamide Traditional Name: N-(2-fluorophenyl)-3-[4-(2-keto-2-morpholino-ethyl)piperazin-4-ium-1-carbonyl]benzenesulfonamide Formula: C23H28FN4O5S+ MolecularWeight: 491.555623

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)N2CCOCC2)C(=O)C3=CC(=CC=C3)S(=O)(=O)NC4=CC=CC=C4F

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N2CCOCC2)C(=O)C3=CC(=CC=C3)S(=O)(=O)NC4=CC=CC=C4F

InChI

InChI=1S/C23H27FN4O5S/c24-20-6-1-2-7-21(20)25-34(31,32)19-5-3-4-18(16-19)23(30)28-10-8-26(9-11-28)17-22(29)27-12-14-33-15-13-27/h1-7,16,25H,8-15,17H2/p+1