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

Systemtic Name: N-(2,4-dimethylphenyl)-4-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methylamino]-3-nitro-benzenesulfonamide Openeye Name: N-(2,4-dimethylphenyl)-4-[(6-morpholinopyridin-1-ium-3-yl)methylamino]-3-nitro-benzenesulfonamide CAS Name: N-(2,4-dimethylphenyl)-4-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methylamino]-3-nitrobenzenesulfonamide IUPAC Name: N-(2,4-dimethylphenyl)-4-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methylamino]-3-nitrobenzenesulfonamide Traditional Name: N-(2,4-dimethylphenyl)-4-[(6-morpholinopyridin-1-ium-3-yl)methylamino]-3-nitro-benzenesulfonamide Formula: C24H28N5O5S+ MolecularWeight: 498.57462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)NCC3=C[NH+]=C(C=C3)N4CCOCC4)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)NCC3=C[NH+]=C(C=C3)N4CCOCC4)[N+](=O)[O-])C

InChI

InChI=1S/C24H27N5O5S/c1-17-3-6-21(18(2)13-17)27-35(32,33)20-5-7-22(23(14-20)29(30)31)25-15-19-4-8-24(26-16-19)28-9-11-34-12-10-28/h3-8,13-14,16,25,27H,9-12,15H2,1-2H3/p+1