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

Systemtic Name: N-(3-morpholin-4-ium-4-ylpropyl)-3-nitro-4-phenoxy-benzenesulfonamide Openeye Name: N-(3-morpholin-4-ium-4-ylpropyl)-3-nitro-4-phenoxy-benzenesulfonamide CAS Name: N-[3-(4-morpholin-4-iumyl)propyl]-3-nitro-4-phenoxybenzenesulfonamide IUPAC Name: N-(3-morpholin-4-ium-4-ylpropyl)-3-nitro-4-phenoxybenzenesulfonamide Traditional Name: N-(3-morpholin-4-ium-4-ylpropyl)-3-nitro-4-phenoxy-benzenesulfonamide Formula: C19H24N3O6S+ MolecularWeight: 422.47536

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNS(=O)(=O)C2=CC(=C(C=C2)OC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1COCC[NH+]1CCCNS(=O)(=O)C2=CC(=C(C=C2)OC3=CC=CC=C3)[N+](=O)[O-]

InChI

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