N-[(2S)-3-morpholin-4-ium-4-yl-2-oxidanyl-propyl]-N-(2-nitrophenyl)benzenesulfonamide

Systemtic Name: N-[(2S)-3-morpholin-4-ium-4-yl-2-oxidanyl-propyl]-N-(2-nitrophenyl)benzenesulfonamide Openeye Name: N-[(2S)-2-hydroxy-3-morpholin-4-ium-4-yl-propyl]-N-(2-nitrophenyl)benzenesulfonamide CAS Name: N-[(2S)-2-hydroxy-3-(4-morpholin-4-iumyl)propyl]-N-(2-nitrophenyl)benzenesulfonamide IUPAC Name: N-[(2S)-2-hydroxy-3-morpholin-4-ium-4-ylpropyl]-N-(2-nitrophenyl)benzenesulfonamide Traditional Name: N-[(2S)-2-hydroxy-3-morpholin-4-ium-4-yl-propyl]-N-(2-nitrophenyl)benzenesulfonamide Formula: C19H24N3O6S+ MolecularWeight: 422.47536

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC(CN(C2=CC=CC=C2[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3)O

Isomeric SMILES

C1COCC[NH+]1C[C@@H](CN(C2=CC=CC=C2[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3)O

InChI

InChI=1S/C19H23N3O6S/c23-16(14-20-10-12-28-13-11-20)15-21(18-8-4-5-9-19(18)22(24)25)29(26,27)17-6-2-1-3-7-17/h1-9,16,23H,10-15H2/p+1/t16-/m0/s1