2-nitro-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzenesulfonamide

Systemtic Name: 2-nitro-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzenesulfonamide Openeye Name: 2-nitro-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzenesulfonamide CAS Name: 2-nitro-N-[3-(1-pyrrolidin-1-iumyl)propyl]benzenesulfonamide IUPAC Name: 2-nitro-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzenesulfonamide Traditional Name: 2-nitro-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzenesulfonamide Formula: C13H20N3O4S+ MolecularWeight: 314.3806

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCCNS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

C1CC[NH+](C1)CCCNS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C13H19N3O4S/c17-16(18)12-6-1-2-7-13(12)21(19,20)14-8-5-11-15-9-3-4-10-15/h1-2,6-7,14H,3-5,8-11H2/p+1