N-(3-morpholin-4-ium-4-ylpropyl)-3-nitro-benzenesulfonamide

Systemtic Name: N-(3-morpholin-4-ium-4-ylpropyl)-3-nitro-benzenesulfonamide Openeye Name: N-(3-morpholin-4-ium-4-ylpropyl)-3-nitro-benzenesulfonamide CAS Name: N-[3-(4-morpholin-4-iumyl)propyl]-3-nitrobenzenesulfonamide IUPAC Name: N-(3-morpholin-4-ium-4-ylpropyl)-3-nitrobenzenesulfonamide Traditional Name: N-(3-morpholin-4-ium-4-ylpropyl)-3-nitro-benzenesulfonamide Formula: C13H20N3O5S+ MolecularWeight: 330.38

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

C1COCC[NH+]1CCCNS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H19N3O5S/c17-16(18)12-3-1-4-13(11-12)22(19,20)14-5-2-6-15-7-9-21-10-8-15/h1,3-4,11,14H,2,5-10H2/p+1