4-morpholin-4-yl-3-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: 4-morpholin-4-yl-3-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide Openeye Name: 4-morpholino-3-[4-(2-phenoxyethyl)piperazin-4-ium-1-carbonyl]benzenesulfonamide CAS Name: 4-(4-morpholinyl)-3-[oxo-[4-(2-phenoxyethyl)-1-piperazin-4-iumyl]methyl]benzenesulfonamide IUPAC Name: 4-morpholin-4-yl-3-[4-(2-phenoxyethyl)piperazin-4-ium-1-carbonyl]benzenesulfonamide Traditional Name: 4-morpholino-3-[4-(2-phenoxyethyl)piperazin-4-ium-1-carbonyl]benzenesulfonamide Formula: C23H31N4O5S+ MolecularWeight: 475.58104

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCOC2=CC=CC=C2)C(=O)C3=C(C=CC(=C3)S(=O)(=O)N)N4CCOCC4

Isomeric SMILES

C1CN(CC[NH+]1CCOC2=CC=CC=C2)C(=O)C3=C(C=CC(=C3)S(=O)(=O)N)N4CCOCC4

InChI

InChI=1S/C23H30N4O5S/c24-33(29,30)20-6-7-22(26-13-15-31-16-14-26)21(18-20)23(28)27-10-8-25(9-11-27)12-17-32-19-4-2-1-3-5-19/h1-7,18H,8-17H2,(H2,24,29,30)/p+1