N-(2-methoxy-5-nitro-phenyl)-N-(2-oxidanyl-3-piperidin-1-ium-1-yl-propyl)benzenesulfonamide chloride

Systemtic Name: N-(2-methoxy-5-nitro-phenyl)-N-(2-oxidanyl-3-piperidin-1-ium-1-yl-propyl)benzenesulfonamide chloride Openeye Name: N-(2-hydroxy-3-piperidin-1-ium-1-yl-propyl)-N-(2-methoxy-5-nitro-phenyl)benzenesulfonamide chloride CAS Name: N-[2-hydroxy-3-(1-piperidin-1-iumyl)propyl]-N-(2-methoxy-5-nitrophenyl)benzenesulfonamide chloride IUPAC Name: N-(2-hydroxy-3-piperidin-1-ium-1-ylpropyl)-N-(2-methoxy-5-nitrophenyl)benzenesulfonamide chloride Traditional Name: N-(2-hydroxy-3-piperidin-1-ium-1-yl-propyl)-N-(2-methoxy-5-nitro-phenyl)benzenesulfonamide chloride Formula: C21H28ClN3O6S MolecularWeight: 485.98152

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(C[NH+]2CCCCC2)O)S(=O)(=O)C3=CC=CC=C3.[Cl-]

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(C[NH+]2CCCCC2)O)S(=O)(=O)C3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C21H27N3O6S.ClH/c1-30-21-11-10-17(24(26)27)14-20(21)23(31(28,29)19-8-4-2-5-9-19)16-18(25)15-22-12-6-3-7-13-22;/h2,4-5,8-11,14,18,25H,3,6-7,12-13,15-16H2,1H3;1H