N-(4-nitrophenyl)-N-(2-oxidanyl-3-piperidin-1-ium-1-yl-propyl)benzenesulfonamide chloride

Systemtic Name: N-(4-nitrophenyl)-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-(4-nitrophenyl)benzenesulfonamide chloride CAS Name: N-[2-hydroxy-3-(1-piperidin-1-iumyl)propyl]-N-(4-nitrophenyl)benzenesulfonamide chloride IUPAC Name: N-(2-hydroxy-3-piperidin-1-ium-1-ylpropyl)-N-(4-nitrophenyl)benzenesulfonamide chloride Traditional Name: N-(2-hydroxy-3-piperidin-1-ium-1-yl-propyl)-N-(4-nitrophenyl)benzenesulfonamide chloride Formula: C20H26ClN3O5S MolecularWeight: 455.95554

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(CN(C2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3)O.[Cl-]

Isomeric SMILES

C1CC[NH+](CC1)CC(CN(C2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3)O.[Cl-]

InChI

InChI=1S/C20H25N3O5S.ClH/c24-19(15-21-13-5-2-6-14-21)16-22(17-9-11-18(12-10-17)23(25)26)29(27,28)20-7-3-1-4-8-20;/h1,3-4,7-12,19,24H,2,5-6,13-16H2;1H