N-(2-methoxy-5-nitro-phenyl)-N-(3-morpholin-4-ium-4-yl-2-oxidanyl-propyl)benzenesulfonamide chloride

Systemtic Name: N-(2-methoxy-5-nitro-phenyl)-N-(3-morpholin-4-ium-4-yl-2-oxidanyl-propyl)benzenesulfonamide chloride Openeye Name: N-(2-hydroxy-3-morpholin-4-ium-4-yl-propyl)-N-(2-methoxy-5-nitro-phenyl)benzenesulfonamide chloride CAS Name: N-[2-hydroxy-3-(4-morpholin-4-iumyl)propyl]-N-(2-methoxy-5-nitrophenyl)benzenesulfonamide chloride IUPAC Name: N-(2-hydroxy-3-morpholin-4-ium-4-ylpropyl)-N-(2-methoxy-5-nitrophenyl)benzenesulfonamide chloride Traditional Name: N-(2-hydroxy-3-morpholin-4-ium-4-yl-propyl)-N-(2-methoxy-5-nitro-phenyl)benzenesulfonamide chloride Formula: C20H26ClN3O7S MolecularWeight: 487.95434

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(C[NH+]2CCOCC2)O)S(=O)(=O)C3=CC=CC=C3.[Cl-]

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(C[NH+]2CCOCC2)O)S(=O)(=O)C3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C20H25N3O7S.ClH/c1-29-20-8-7-16(23(25)26)13-19(20)22(31(27,28)18-5-3-2-4-6-18)15-17(24)14-21-9-11-30-12-10-21;/h2-8,13,17,24H,9-12,14-15H2,1H3;1H