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

Systemtic Name: 4-nitro-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide Openeye Name: 4-nitro-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide CAS Name: 4-nitro-N-[3-(1-pyrrolidinyl)propyl]benzenesulfonamide IUPAC Name: 4-nitro-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide Traditional Name: 4-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=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C13H19N3O4S/c17-16(18)12-4-6-13(7-5-12)21(19,20)14-8-3-11-15-9-1-2-10-15/h4-7,14H,1-3,8-11H2