2-nitro-N-[(2S)-2-oxidanyl-3-piperidin-1-ium-1-yl-propyl]-N-phenyl-benzenesulfonamide

Systemtic Name: 2-nitro-N-[(2S)-2-oxidanyl-3-piperidin-1-ium-1-yl-propyl]-N-phenyl-benzenesulfonamide Openeye Name: N-[(2S)-2-hydroxy-3-piperidin-1-ium-1-yl-propyl]-2-nitro-N-phenyl-benzenesulfonamide CAS Name: N-[(2S)-2-hydroxy-3-(1-piperidin-1-iumyl)propyl]-2-nitro-N-phenylbenzenesulfonamide IUPAC Name: N-[(2S)-2-hydroxy-3-piperidin-1-ium-1-ylpropyl]-2-nitro-N-phenylbenzenesulfonamide Traditional Name: N-[(2S)-2-hydroxy-3-piperidin-1-ium-1-yl-propyl]-2-nitro-N-phenyl-benzenesulfonamide Formula: C20H26N3O5S+ MolecularWeight: 420.50254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O5S/c24-18(15-21-13-7-2-8-14-21)16-22(17-9-3-1-4-10-17)29(27,28)20-12-6-5-11-19(20)23(25)26/h1,3-6,9-12,18,24H,2,7-8,13-16H2/p+1/t18-/m0/s1