N-(2-methoxyphenyl)-2-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methylamino]-5-nitro-benzenesulfonamide

Systemtic Name: N-(2-methoxyphenyl)-2-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methylamino]-5-nitro-benzenesulfonamide Openeye Name: N-(2-methoxyphenyl)-2-[(6-morpholinopyridin-1-ium-3-yl)methylamino]-5-nitro-benzenesulfonamide CAS Name: N-(2-methoxyphenyl)-2-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methylamino]-5-nitrobenzenesulfonamide IUPAC Name: N-(2-methoxyphenyl)-2-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methylamino]-5-nitrobenzenesulfonamide Traditional Name: N-(2-methoxyphenyl)-2-[(6-morpholinopyridin-1-ium-3-yl)methylamino]-5-nitro-benzenesulfonamide Formula: C23H26N5O6S+ MolecularWeight: 500.54744

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NS(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCC3=C[NH+]=C(C=C3)N4CCOCC4

Isomeric SMILES

COC1=CC=CC=C1NS(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCC3=C[NH+]=C(C=C3)N4CCOCC4

InChI

InChI=1S/C23H25N5O6S/c1-33-21-5-3-2-4-19(21)26-35(31,32)22-14-18(28(29)30)7-8-20(22)24-15-17-6-9-23(25-16-17)27-10-12-34-13-11-27/h2-9,14,16,24,26H,10-13,15H2,1H3/p+1