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

Systemtic Name: 3-nitro-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide Openeye Name: 3-nitro-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide CAS Name: 3-nitro-N-[3-(1-pyrrolidinyl)propyl]benzenesulfonamide IUPAC Name: 3-nitro-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide Traditional Name: 3-nitro-N-(3-pyrrolidinopropyl)benzenesulfonamide Formula: C13H19N3O4S MolecularWeight: 313.37266

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCCNS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)CCCNS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H19N3O4S/c17-16(18)12-5-3-6-13(11-12)21(19,20)14-7-4-10-15-8-1-2-9-15/h3,5-6,11,14H,1-2,4,7-10H2