N-(3-nitrophenyl)-N-[(2S)-2-oxidanyl-3-pyrrolidin-1-ium-1-yl-propyl]benzenesulfonamide

Systemtic Name: N-(3-nitrophenyl)-N-[(2S)-2-oxidanyl-3-pyrrolidin-1-ium-1-yl-propyl]benzenesulfonamide Openeye Name: N-[(2S)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propyl]-N-(3-nitrophenyl)benzenesulfonamide CAS Name: N-[(2S)-2-hydroxy-3-(1-pyrrolidin-1-iumyl)propyl]-N-(3-nitrophenyl)benzenesulfonamide IUPAC Name: N-[(2S)-2-hydroxy-3-pyrrolidin-1-ium-1-ylpropyl]-N-(3-nitrophenyl)benzenesulfonamide Traditional Name: N-[(2S)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propyl]-N-(3-nitrophenyl)benzenesulfonamide Formula: C19H24N3O5S+ MolecularWeight: 406.47596

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC(CN(C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3)O

Isomeric SMILES

C1CC[NH+](C1)C[C@@H](CN(C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3)O

InChI

InChI=1S/C19H23N3O5S/c23-18(14-20-11-4-5-12-20)15-21(16-7-6-8-17(13-16)22(24)25)28(26,27)19-9-2-1-3-10-19/h1-3,6-10,13,18,23H,4-5,11-12,14-15H2/p+1/t18-/m0/s1