N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-nitro-benzenesulfonamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-nitro-benzenesulfonamide Openeye Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-nitro-benzenesulfonamide CAS Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-nitrobenzenesulfonamide IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-nitrobenzenesulfonamide Traditional Name: N-homopiperonyl-4-nitro-benzenesulfonamide Formula: C15H14N2O6S MolecularWeight: 350.34646

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CCNS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CCNS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H14N2O6S/c18-17(19)12-2-4-13(5-3-12)24(20,21)16-8-7-11-1-6-14-15(9-11)23-10-22-14/h1-6,9,16H,7-8,10H2