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

Systemtic Name: N,N-dimethyl-4-morpholin-4-yl-3-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide Openeye Name: N,N-dimethyl-4-morpholino-3-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-carbonyl]benzenesulfonamide CAS Name: N,N-dimethyl-4-(4-morpholinyl)-3-[oxo-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazin-4-iumyl]methyl]benzenesulfonamide IUPAC Name: N,N-dimethyl-4-morpholin-4-yl-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-4-ium-1-carbonyl]benzenesulfonamide Traditional Name: 3-[4-(2-keto-2-pyrrolidino-ethyl)piperazin-4-ium-1-carbonyl]-N,N-dimethyl-4-morpholino-benzenesulfonamide Formula: C23H36N5O5S+ MolecularWeight: 494.62744

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC(=C(C=C1)N2CCOCC2)C(=O)N3CC[NH+](CC3)CC(=O)N4CCCC4

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC(=C(C=C1)N2CCOCC2)C(=O)N3CC[NH+](CC3)CC(=O)N4CCCC4

InChI

InChI=1S/C23H35N5O5S/c1-24(2)34(31,32)19-5-6-21(26-13-15-33-16-14-26)20(17-19)23(30)28-11-9-25(10-12-28)18-22(29)27-7-3-4-8-27/h5-6,17H,3-4,7-16,18H2,1-2H3/p+1