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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCO2)NS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC(C1=CC2=C(C=C1)OCO2)NS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C15H14N2O6S/c1-10(11-6-7-13-14(8-11)23-9-22-13)16-24(20,21)15-5-3-2-4-12(15)17(18)19/h2-8,10,16H,9H2,1H3